Details of the Drug

General Information of Drug (ID: DMTEDHP)

Drug Name

isoamylamine

Synonyms

ISOAMYLAMINE; Isopentylamine; 107-85-7; 3-METHYLBUTAN-1-AMINE; 3-Methylbutylamine; 1-Amino-3-methylbutane; Monoisoamylamine; Leucamine; 1-Butanamine, 3-methyl-; 3-Methylbutanamine; Isovalerylamine; Monoisopentylamine; gamma-Isoamylamine; Isobutylcarbylamine; 3-Methyl-Butylamine; 3-Methyl-1-butylamine; Butylamine, 3-methyl-; 3-Methyl-1-butanamine; 3,3-Dimethylpropylamine; 1-Aminoisopentane; isoamyl amine; UNII-LPO0L33SHY; 2-(2-isopropyl)ethylamine; Propylamine, 3,3-dimethyl-; .gamma.-Isoamylamine; NSC 7907; ISOAMYLAMINE, REAG

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]
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Drug Type

Small molecular drug

Structure

3D MOL is unavailable

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

87.16

Logarithm of the Partition Coefficient (xlogp)

1

Rotatable Bond Count (rotbonds)

2

Hydrogen Bond Donor Count (hbonddonor)

1

Hydrogen Bond Acceptor Count (hbondacc)

1

Chemical Identifiers

Formula: C5H13N
IUPAC Name: 3-methylbutan-1-amine
Canonical SMILES: CC(C)CCN
InChI: InChI=1S/C5H13N/c1-5(2)3-4-6/h5H,3-4,6H2,1-2H3
InChIKey: BMFVGAAISNGQNM-UHFFFAOYSA-N

Cross-matching ID

PubChem CID: 7894
ChEBI ID: CHEBI:43689
CAS Number: 107-85-7
TTD ID: D0XO7J

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Trace amine receptor 3 (TAAR3)	TTVX9SH	TAAR3_HUMAN	Agonist	[2]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	URL: http://www.guidetopharmacology.org Nucleic Acids Res. 2015 Oct 12. pii: gkv1037. The IUPHAR/BPS Guide to PHARMACOLOGY in 2016: towards curated quantitative interactions between 1300 protein targets and 6000 ligands. (Ligand id: 5506).
2	A second class of chemosensory receptors in the olfactory epithelium. Nature. 2006 Aug 10;442(7103):645-50.