2-[(4,4-dimethylazepan-1-yl)methyl]-4-methylcyclohexan-1-amine

C16H32N2 — CID 65281870

IUPAC2-[(4,4-dimethylazepan-1-yl)methyl]-4-methylcyclohexan-1-amine
SMILESCC1CCC(N)C(CN2CCCC(C)(C)CC2)C1
InChIInChI=1S/C16H32N2/c1-13-5-6-15(17)14(11-13)12-18-9-4-7-16(2,3)8-10-18/h13-15H,4-12,17H2,1-3H3
InChIKeyVTXROJPTCHGJFO-UHFFFAOYSA-N
MW252.45 g/mol
LogP3.26
Rot. Bonds2

About 2-[(4,4-dimethylazepan-1-yl)methyl]-4-methylcyclohexan-1-amine

2-[(4,4-dimethylazepan-1-yl)methyl]-4-methylcyclohexan-1-amine (PubChem CID 65281870) has the molecular formula C16H32N2 and a molecular weight of 252.45 g/mol. Its IUPAC name is 2-[(4,4-dimethylazepan-1-yl)methyl]-4-methylcyclohexan-1-amine.

Molecular Properties

Compound Name2-[(4,4-dimethylazepan-1-yl)methyl]-4-methylcyclohexan-1-amine
PubChem CID65281870
Molecular FormulaC16H32N2
Molecular Weight252.45 g/mol
Exact Mass252.26
IUPAC Name2-[(4,4-dimethylazepan-1-yl)methyl]-4-methylcyclohexan-1-amine
SMILESCC1CCC(N)C(CN2CCCC(C)(C)CC2)C1
InChIInChI=1S/C16H32N2/c1-13-5-6-15(17)14(11-13)12-18-9-4-7-16(2,3)8-10-18/h13-15H,4-12,17H2,1-3H3
InChIKeyVTXROJPTCHGJFO-UHFFFAOYSA-N
XLogP3.26
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 ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(4,4-dimethylazepan-1-yl)methyl]-4-methylcyclohexan-1-amine?
The IUPAC name of 2-[(4,4-dimethylazepan-1-yl)methyl]-4-methylcyclohexan-1-amine (CID 65281870) is 2-[(4,4-dimethylazepan-1-yl)methyl]-4-methylcyclohexan-1-amine.
What is the SMILES notation for 2-[(4,4-dimethylazepan-1-yl)methyl]-4-methylcyclohexan-1-amine?
The canonical SMILES for 2-[(4,4-dimethylazepan-1-yl)methyl]-4-methylcyclohexan-1-amine is CC1CCC(N)C(CN2CCCC(C)(C)CC2)C1.
What is the InChIKey of 2-[(4,4-dimethylazepan-1-yl)methyl]-4-methylcyclohexan-1-amine?
The InChIKey is VTXROJPTCHGJFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2/c1-13-5-6-15(17)14(11-13)12-18-9-4-7-16(2,3)8-10-18/h13-15H,4-12,17H2,1-3H3.
What are the key properties of 2-[(4,4-dimethylazepan-1-yl)methyl]-4-methylcyclohexan-1-amine?
2-[(4,4-dimethylazepan-1-yl)methyl]-4-methylcyclohexan-1-amine has a molecular weight of 252.45 g/mol, XLogP of 3.26, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4,4-dimethylazepan-1-yl)methyl]-4-methylcyclohexan-1-amine is sourced from PubChem (CID 65281870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).