2-amino-N-[3-(azepan-1-yl)propyl]-2-methylpentanamide

C15H31N3O — CID 119831283

IUPAC2-amino-N-[3-(azepan-1-yl)propyl]-2-methylpentanamide
SMILESCCCC(C)(N)C(=O)NCCCN1CCCCCC1
InChIInChI=1S/C15H31N3O/c1-3-9-15(2,16)14(19)17-10-8-13-18-11-6-4-5-7-12-18/h3-13,16H2,1-2H3,(H,17,19)
InChIKeyDHBPSBODYHWWLZ-UHFFFAOYSA-N
MW269.43 g/mol
LogP1.89
Rot. Bonds7

About 2-amino-N-[3-(azepan-1-yl)propyl]-2-methylpentanamide

2-amino-N-[3-(azepan-1-yl)propyl]-2-methylpentanamide (PubChem CID 119831283) has the molecular formula C15H31N3O and a molecular weight of 269.43 g/mol. Its IUPAC name is 2-amino-N-[3-(azepan-1-yl)propyl]-2-methylpentanamide.

Molecular Properties

Compound Name2-amino-N-[3-(azepan-1-yl)propyl]-2-methylpentanamide
PubChem CID119831283
Molecular FormulaC15H31N3O
Molecular Weight269.43 g/mol
Exact Mass269.25
IUPAC Name2-amino-N-[3-(azepan-1-yl)propyl]-2-methylpentanamide
SMILESCCCC(C)(N)C(=O)NCCCN1CCCCCC1
InChIInChI=1S/C15H31N3O/c1-3-9-15(2,16)14(19)17-10-8-13-18-11-6-4-5-7-12-18/h3-13,16H2,1-2H3,(H,17,19)
InChIKeyDHBPSBODYHWWLZ-UHFFFAOYSA-N
XLogP1.89
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-[2-(azepan-1-yl)ethyl]-2-methylpentanamide
CID 61240400
2-bromo-2-methyl-N-(3-pyrrolidin-1-ylpropyl)propanamide
CID 114327405
2-amino-2-methyl-N-[2-(4-methylpiperidin-1-yl)ethyl]pentanamide
CID 61241654
(2R)-2-amino-3,3-dimethyl-N-(3-piperidin-1-ylpropyl)butanamide
CID 103928449
2,2-dimethyl-N-(3-piperazin-1-ylpropyl)butanamide
CID 55103201
2-amino-N-[3-(methanesulfonamido)propyl]-2-methylpentanamide
CID 113266277
2-amino-N-(2-hydroxyethyl)-2-methylpentanamide
CID 60847863
1-octadecyl-3-(3-piperidin-1-ylpropyl)urea
CID 139652296
N-(3-pyrrolidin-1-ylpropyl)butanamide
CID 60668593
2-amino-2-phenyl-N-(3-pyrrolidin-1-ylpropyl)propanamide;dihydrochloride
CID 120594845
2-amino-N-(3-ethoxypropyl)-2-methylpentanamide
CID 60848573
1-pentyl-3-(6-piperidin-1-ylhexyl)urea
CID 58599050

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[3-(azepan-1-yl)propyl]-2-methylpentanamide?
The IUPAC name of 2-amino-N-[3-(azepan-1-yl)propyl]-2-methylpentanamide (CID 119831283) is 2-amino-N-[3-(azepan-1-yl)propyl]-2-methylpentanamide.
What is the SMILES notation for 2-amino-N-[3-(azepan-1-yl)propyl]-2-methylpentanamide?
The canonical SMILES for 2-amino-N-[3-(azepan-1-yl)propyl]-2-methylpentanamide is CCCC(C)(N)C(=O)NCCCN1CCCCCC1.
What is the InChIKey of 2-amino-N-[3-(azepan-1-yl)propyl]-2-methylpentanamide?
The InChIKey is DHBPSBODYHWWLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O/c1-3-9-15(2,16)14(19)17-10-8-13-18-11-6-4-5-7-12-18/h3-13,16H2,1-2H3,(H,17,19).
What are the key properties of 2-amino-N-[3-(azepan-1-yl)propyl]-2-methylpentanamide?
2-amino-N-[3-(azepan-1-yl)propyl]-2-methylpentanamide has a molecular weight of 269.43 g/mol, XLogP of 1.89, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[3-(azepan-1-yl)propyl]-2-methylpentanamide is sourced from PubChem (CID 119831283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).