N-(azepan-2-ylmethyl)octan-1-amine

C15H32N2 — CID 115568709

IUPACN-(azepan-2-ylmethyl)octan-1-amine
SMILESCCCCCCCCNCC1CCCCCN1
InChIInChI=1S/C15H32N2/c1-2-3-4-5-6-9-12-16-14-15-11-8-7-10-13-17-15/h15-17H,2-14H2,1H3
InChIKeyDWNGDZSCWXENOZ-UHFFFAOYSA-N
MW240.43 g/mol
LogP3.47
Rot. Bonds9

About N-(azepan-2-ylmethyl)octan-1-amine

N-(azepan-2-ylmethyl)octan-1-amine (PubChem CID 115568709) has the molecular formula C15H32N2 and a molecular weight of 240.43 g/mol. Its IUPAC name is N-(azepan-2-ylmethyl)octan-1-amine.

Molecular Properties

Compound NameN-(azepan-2-ylmethyl)octan-1-amine
PubChem CID115568709
Molecular FormulaC15H32N2
Molecular Weight240.43 g/mol
Exact Mass240.26
IUPAC NameN-(azepan-2-ylmethyl)octan-1-amine
SMILESCCCCCCCCNCC1CCCCCN1
InChIInChI=1S/C15H32N2/c1-2-3-4-5-6-9-12-16-14-15-11-8-7-10-13-17-15/h15-17H,2-14H2,1H3
InChIKeyDWNGDZSCWXENOZ-UHFFFAOYSA-N
XLogP3.47
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.43
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N'-fluoro-N-(piperidin-2-ylmethyl)butane-1,4-diamine
CID 174304939
5-methyl-N-(piperidin-2-ylmethyl)hexan-1-amine
CID 115325988
4-methoxy-N-(piperidin-2-ylmethyl)butan-1-amine
CID 106633816
N-(2-pyrrolidin-2-ylethyl)octan-1-amine
CID 115568837
N-(azepan-2-ylmethyl)-5,5,5-trifluoropentan-1-amine
CID 113327737
3-(piperidin-2-ylmethylamino)propan-1-ol
CID 106633028
2-heptadecylazepane
CID 4009189
N-(piperidin-2-ylmethyl)ethanamine
CID 11970483
5-(pyrrolidin-2-ylmethylamino)pentan-1-ol
CID 107316712
2-tetradecylpiperidine
CID 151771246
2-cyclohexyl-N-(piperidin-2-ylmethyl)ethanamine
CID 106633611
N-(cyclopentylmethyl)decan-1-amine
CID 63489737

Frequently Asked Questions

What is the IUPAC name of N-(azepan-2-ylmethyl)octan-1-amine?
The IUPAC name of N-(azepan-2-ylmethyl)octan-1-amine (CID 115568709) is N-(azepan-2-ylmethyl)octan-1-amine.
What is the SMILES notation for N-(azepan-2-ylmethyl)octan-1-amine?
The canonical SMILES for N-(azepan-2-ylmethyl)octan-1-amine is CCCCCCCCNCC1CCCCCN1.
What is the InChIKey of N-(azepan-2-ylmethyl)octan-1-amine?
The InChIKey is DWNGDZSCWXENOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N2/c1-2-3-4-5-6-9-12-16-14-15-11-8-7-10-13-17-15/h15-17H,2-14H2,1H3.
What are the key properties of N-(azepan-2-ylmethyl)octan-1-amine?
N-(azepan-2-ylmethyl)octan-1-amine has a molecular weight of 240.43 g/mol, XLogP of 3.47, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(azepan-2-ylmethyl)octan-1-amine is sourced from PubChem (CID 115568709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).