1-methyl-N-[(4-methylcyclohexyl)methyl]azepan-4-amine

C15H30N2 — CID 65075081

IUPAC1-methyl-N-[(4-methylcyclohexyl)methyl]azepan-4-amine
SMILESCC1CCC(CNC2CCCN(C)CC2)CC1
InChIInChI=1S/C15H30N2/c1-13-5-7-14(8-6-13)12-16-15-4-3-10-17(2)11-9-15/h13-16H,3-12H2,1-2H3
InChIKeyVVOBYOYDXRZNMQ-UHFFFAOYSA-N
MW238.42 g/mol
LogP2.89
Rot. Bonds3

About 1-methyl-N-[(4-methylcyclohexyl)methyl]azepan-4-amine

1-methyl-N-[(4-methylcyclohexyl)methyl]azepan-4-amine (PubChem CID 65075081) has the molecular formula C15H30N2 and a molecular weight of 238.42 g/mol. Its IUPAC name is 1-methyl-N-[(4-methylcyclohexyl)methyl]azepan-4-amine.

Molecular Properties

Compound Name1-methyl-N-[(4-methylcyclohexyl)methyl]azepan-4-amine
PubChem CID65075081
Molecular FormulaC15H30N2
Molecular Weight238.42 g/mol
Exact Mass238.24
IUPAC Name1-methyl-N-[(4-methylcyclohexyl)methyl]azepan-4-amine
SMILESCC1CCC(CNC2CCCN(C)CC2)CC1
InChIInChI=1S/C15H30N2/c1-13-5-7-14(8-6-13)12-16-15-4-3-10-17(2)11-9-15/h13-16H,3-12H2,1-2H3
InChIKeyVVOBYOYDXRZNMQ-UHFFFAOYSA-N
XLogP2.89
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.42
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(cyclobutylmethyl)-1-methylazepan-4-amine
CID 65070057
1-methyl-N-[(1-methylpiperidin-4-yl)methyl]piperidin-3-amine
CID 62657172
N-(cyclopropylmethyl)-4-methylcyclohexan-1-amine
CID 43190640
N-(cyclopropylmethyl)-1-(1-methylpiperidin-4-yl)piperidin-4-amine
CID 78921372
1-(4-methylcyclohexyl)-N-[(1-methylpiperidin-4-yl)methyl]methanamine
CID 63243077
N-(cyclobutylmethyl)-4-methylcycloheptan-1-amine
CID 65081336
4-[[(1-methylpiperidin-3-yl)amino]methyl]cyclohexan-1-ol
CID 106126243
N-[(1-methylpyrrolidin-3-yl)methyl]cyclopentanamine
CID 60856905
3-methyl-N-[(1-methylpiperidin-3-yl)methyl]cyclopentan-1-amine
CID 64502172
N-[(4-methylcyclohexyl)methyl]piperidin-3-amine
CID 63243171
N-[(1-ethylpyrrolidin-2-yl)methyl]-1-methylazepan-4-amine
CID 65071094
N,1-dimethylazepan-4-amine;molecular hydrogen
CID 156821685

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[(4-methylcyclohexyl)methyl]azepan-4-amine?
The IUPAC name of 1-methyl-N-[(4-methylcyclohexyl)methyl]azepan-4-amine (CID 65075081) is 1-methyl-N-[(4-methylcyclohexyl)methyl]azepan-4-amine.
What is the SMILES notation for 1-methyl-N-[(4-methylcyclohexyl)methyl]azepan-4-amine?
The canonical SMILES for 1-methyl-N-[(4-methylcyclohexyl)methyl]azepan-4-amine is CC1CCC(CNC2CCCN(C)CC2)CC1.
What is the InChIKey of 1-methyl-N-[(4-methylcyclohexyl)methyl]azepan-4-amine?
The InChIKey is VVOBYOYDXRZNMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2/c1-13-5-7-14(8-6-13)12-16-15-4-3-10-17(2)11-9-15/h13-16H,3-12H2,1-2H3.
What are the key properties of 1-methyl-N-[(4-methylcyclohexyl)methyl]azepan-4-amine?
1-methyl-N-[(4-methylcyclohexyl)methyl]azepan-4-amine has a molecular weight of 238.42 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[(4-methylcyclohexyl)methyl]azepan-4-amine is sourced from PubChem (CID 65075081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).