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

C17H34N2 — CID 65281770

IUPAC2-[(4,4-dimethylazepan-1-yl)methyl]-4,4-dimethylcyclohexan-1-amine
SMILESCC1(C)CCCN(CC2CC(C)(C)CCC2N)CC1
InChIInChI=1S/C17H34N2/c1-16(2)7-5-10-19(11-9-16)13-14-12-17(3,4)8-6-15(14)18/h14-15H,5-13,18H2,1-4H3
InChIKeyCTJMQFXTSVKUNX-UHFFFAOYSA-N
MW266.47 g/mol
LogP3.65
Rot. Bonds2

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

2-[(4,4-dimethylazepan-1-yl)methyl]-4,4-dimethylcyclohexan-1-amine (PubChem CID 65281770) has the molecular formula C17H34N2 and a molecular weight of 266.47 g/mol. Its IUPAC name is 2-[(4,4-dimethylazepan-1-yl)methyl]-4,4-dimethylcyclohexan-1-amine.

Molecular Properties

Compound Name2-[(4,4-dimethylazepan-1-yl)methyl]-4,4-dimethylcyclohexan-1-amine
PubChem CID65281770
Molecular FormulaC17H34N2
Molecular Weight266.47 g/mol
Exact Mass266.27
IUPAC Name2-[(4,4-dimethylazepan-1-yl)methyl]-4,4-dimethylcyclohexan-1-amine
SMILESCC1(C)CCCN(CC2CC(C)(C)CCC2N)CC1
InChIInChI=1S/C17H34N2/c1-16(2)7-5-10-19(11-9-16)13-14-12-17(3,4)8-6-15(14)18/h14-15H,5-13,18H2,1-4H3
InChIKeyCTJMQFXTSVKUNX-UHFFFAOYSA-N
XLogP3.65
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.47
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[(4,4-dimethylazepan-1-yl)methyl]-4,4-dimethylcyclohexan-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

Frequently Asked Questions

What is the IUPAC name of 2-[(4,4-dimethylazepan-1-yl)methyl]-4,4-dimethylcyclohexan-1-amine?
The IUPAC name of 2-[(4,4-dimethylazepan-1-yl)methyl]-4,4-dimethylcyclohexan-1-amine (CID 65281770) is 2-[(4,4-dimethylazepan-1-yl)methyl]-4,4-dimethylcyclohexan-1-amine.
What is the SMILES notation for 2-[(4,4-dimethylazepan-1-yl)methyl]-4,4-dimethylcyclohexan-1-amine?
The canonical SMILES for 2-[(4,4-dimethylazepan-1-yl)methyl]-4,4-dimethylcyclohexan-1-amine is CC1(C)CCCN(CC2CC(C)(C)CCC2N)CC1.
What is the InChIKey of 2-[(4,4-dimethylazepan-1-yl)methyl]-4,4-dimethylcyclohexan-1-amine?
The InChIKey is CTJMQFXTSVKUNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2/c1-16(2)7-5-10-19(11-9-16)13-14-12-17(3,4)8-6-15(14)18/h14-15H,5-13,18H2,1-4H3.
What are the key properties of 2-[(4,4-dimethylazepan-1-yl)methyl]-4,4-dimethylcyclohexan-1-amine?
2-[(4,4-dimethylazepan-1-yl)methyl]-4,4-dimethylcyclohexan-1-amine has a molecular weight of 266.47 g/mol, XLogP of 3.65, 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]-4,4-dimethylcyclohexan-1-amine is sourced from PubChem (CID 65281770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).