1-[(4,4-dimethylazepan-1-yl)methyl]-3-methylcyclohexan-1-amine

C16H32N2 — CID 65283024

IUPAC1-[(4,4-dimethylazepan-1-yl)methyl]-3-methylcyclohexan-1-amine
SMILESCC1CCCC(N)(CN2CCCC(C)(C)CC2)C1
InChIInChI=1S/C16H32N2/c1-14-6-4-8-16(17,12-14)13-18-10-5-7-15(2,3)9-11-18/h14H,4-13,17H2,1-3H3
InChIKeyVALFKAAEPUWEAB-UHFFFAOYSA-N
MW252.45 g/mol
LogP3.41
Rot. Bonds2

About 1-[(4,4-dimethylazepan-1-yl)methyl]-3-methylcyclohexan-1-amine

1-[(4,4-dimethylazepan-1-yl)methyl]-3-methylcyclohexan-1-amine (PubChem CID 65283024) has the molecular formula C16H32N2 and a molecular weight of 252.45 g/mol. Its IUPAC name is 1-[(4,4-dimethylazepan-1-yl)methyl]-3-methylcyclohexan-1-amine.

Molecular Properties

Compound Name1-[(4,4-dimethylazepan-1-yl)methyl]-3-methylcyclohexan-1-amine
PubChem CID65283024
Molecular FormulaC16H32N2
Molecular Weight252.45 g/mol
Exact Mass252.26
IUPAC Name1-[(4,4-dimethylazepan-1-yl)methyl]-3-methylcyclohexan-1-amine
SMILESCC1CCCC(N)(CN2CCCC(C)(C)CC2)C1
InChIInChI=1S/C16H32N2/c1-14-6-4-8-16(17,12-14)13-18-10-5-7-15(2,3)9-11-18/h14H,4-13,17H2,1-3H3
InChIKeyVALFKAAEPUWEAB-UHFFFAOYSA-N
XLogP3.41
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.45
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(4,4-dimethylazepan-1-yl)methyl]-3-methylcyclohexan-1-amine?
The IUPAC name of 1-[(4,4-dimethylazepan-1-yl)methyl]-3-methylcyclohexan-1-amine (CID 65283024) is 1-[(4,4-dimethylazepan-1-yl)methyl]-3-methylcyclohexan-1-amine.
What is the SMILES notation for 1-[(4,4-dimethylazepan-1-yl)methyl]-3-methylcyclohexan-1-amine?
The canonical SMILES for 1-[(4,4-dimethylazepan-1-yl)methyl]-3-methylcyclohexan-1-amine is CC1CCCC(N)(CN2CCCC(C)(C)CC2)C1.
What is the InChIKey of 1-[(4,4-dimethylazepan-1-yl)methyl]-3-methylcyclohexan-1-amine?
The InChIKey is VALFKAAEPUWEAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2/c1-14-6-4-8-16(17,12-14)13-18-10-5-7-15(2,3)9-11-18/h14H,4-13,17H2,1-3H3.
What are the key properties of 1-[(4,4-dimethylazepan-1-yl)methyl]-3-methylcyclohexan-1-amine?
1-[(4,4-dimethylazepan-1-yl)methyl]-3-methylcyclohexan-1-amine has a molecular weight of 252.45 g/mol, XLogP of 3.41, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4,4-dimethylazepan-1-yl)methyl]-3-methylcyclohexan-1-amine is sourced from PubChem (CID 65283024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).