4-(azepan-1-yl)-N-(2-methylpropyl)pentan-1-amine

C15H32N2 — CID 55070119

IUPAC4-(azepan-1-yl)-N-(2-methylpropyl)pentan-1-amine
SMILESCC(C)CNCCCC(C)N1CCCCCC1
InChIInChI=1S/C15H32N2/c1-14(2)13-16-10-8-9-15(3)17-11-6-4-5-7-12-17/h14-16H,4-13H2,1-3H3
InChIKeyGKIONMQFBJQVIH-UHFFFAOYSA-N
MW240.43 g/mol
LogP3.28
Rot. Bonds7

About 4-(azepan-1-yl)-N-(2-methylpropyl)pentan-1-amine

4-(azepan-1-yl)-N-(2-methylpropyl)pentan-1-amine (PubChem CID 55070119) has the molecular formula C15H32N2 and a molecular weight of 240.43 g/mol. Its IUPAC name is 4-(azepan-1-yl)-N-(2-methylpropyl)pentan-1-amine.

Molecular Properties

Compound Name4-(azepan-1-yl)-N-(2-methylpropyl)pentan-1-amine
PubChem CID55070119
Molecular FormulaC15H32N2
Molecular Weight240.43 g/mol
Exact Mass240.26
IUPAC Name4-(azepan-1-yl)-N-(2-methylpropyl)pentan-1-amine
SMILESCC(C)CNCCCC(C)N1CCCCCC1
InChIInChI=1S/C15H32N2/c1-14(2)13-16-10-8-9-15(3)17-11-6-4-5-7-12-17/h14-16H,4-13H2,1-3H3
InChIKeyGKIONMQFBJQVIH-UHFFFAOYSA-N
XLogP3.28
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.43
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-(azepan-1-yl)-N-(2-methylpropyl)pentan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-methylpropyl)-4-thiomorpholin-4-ylpentan-1-amine
CID 62417518
4-(2,6-dimethylmorpholin-4-yl)-N-(2-methylpropyl)pentan-1-amine
CID 62439790
4-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-N-(2-methylpropyl)pentan-1-amine
CID 62434416
N-[2-(azepan-1-yl)propyl]butan-1-amine
CID 62557297
N-tert-butyl-4-piperidin-1-ylpentan-1-amine
CID 55137410
12-(2-methylpropylamino)-1-pyrrolidin-1-yldodecan-1-ol
CID 146259248
4-(3,4-dimethylpiperazin-1-yl)-N-(2-methylpropyl)pentan-1-amine
CID 63619609
N-(2-piperidin-1-ylpropyl)octan-1-amine
CID 63452848
N-(2-methylpropyl)-3-(1,4-oxazepan-4-yl)butan-1-amine
CID 62973036
N,N,4-trimethyl-1-[5-(2-methylpropylamino)pentan-2-yl]pyrrolidin-3-amine
CID 81469439
4-(2-methylmorpholin-4-yl)-N-(2-methylpropyl)pentan-1-amine
CID 55070458
N-(2-methylpropyl)-4-piperidin-1-ylbutan-1-amine
CID 62425413

Frequently Asked Questions

What is the IUPAC name of 4-(azepan-1-yl)-N-(2-methylpropyl)pentan-1-amine?
The IUPAC name of 4-(azepan-1-yl)-N-(2-methylpropyl)pentan-1-amine (CID 55070119) is 4-(azepan-1-yl)-N-(2-methylpropyl)pentan-1-amine.
What is the SMILES notation for 4-(azepan-1-yl)-N-(2-methylpropyl)pentan-1-amine?
The canonical SMILES for 4-(azepan-1-yl)-N-(2-methylpropyl)pentan-1-amine is CC(C)CNCCCC(C)N1CCCCCC1.
What is the InChIKey of 4-(azepan-1-yl)-N-(2-methylpropyl)pentan-1-amine?
The InChIKey is GKIONMQFBJQVIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2/c1-14(2)13-16-10-8-9-15(3)17-11-6-4-5-7-12-17/h14-16H,4-13H2,1-3H3.
What are the key properties of 4-(azepan-1-yl)-N-(2-methylpropyl)pentan-1-amine?
4-(azepan-1-yl)-N-(2-methylpropyl)pentan-1-amine has a molecular weight of 240.43 g/mol, XLogP of 3.28, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azepan-1-yl)-N-(2-methylpropyl)pentan-1-amine is sourced from PubChem (CID 55070119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).