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

C15H30N2 — CID 103903498

IUPAC1-methyl-N-[(1-methylcyclohexyl)methyl]azepan-4-amine
SMILESCN1CCCC(NCC2(C)CCCCC2)CC1
InChIInChI=1S/C15H30N2/c1-15(9-4-3-5-10-15)13-16-14-7-6-11-17(2)12-8-14/h14,16H,3-13H2,1-2H3
InChIKeyIJGBAVFVWZAFKY-UHFFFAOYSA-N
MW238.42 g/mol
LogP3.03
Rot. Bonds3

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

1-methyl-N-[(1-methylcyclohexyl)methyl]azepan-4-amine (PubChem CID 103903498) has the molecular formula C15H30N2 and a molecular weight of 238.42 g/mol. Its IUPAC name is 1-methyl-N-[(1-methylcyclohexyl)methyl]azepan-4-amine.

Molecular Properties

Compound Name1-methyl-N-[(1-methylcyclohexyl)methyl]azepan-4-amine
PubChem CID103903498
Molecular FormulaC15H30N2
Molecular Weight238.42 g/mol
Exact Mass238.24
IUPAC Name1-methyl-N-[(1-methylcyclohexyl)methyl]azepan-4-amine
SMILESCN1CCCC(NCC2(C)CCCCC2)CC1
InChIInChI=1S/C15H30N2/c1-15(9-4-3-5-10-15)13-16-14-7-6-11-17(2)12-8-14/h14,16H,3-13H2,1-2H3
InChIKeyIJGBAVFVWZAFKY-UHFFFAOYSA-N
XLogP3.03
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 ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-methyl-N-[(1-methylcyclobutyl)methyl]azepan-4-amine
CID 103903194
1-[[(1-methylazepan-4-yl)amino]methyl]cycloheptan-1-ol
CID 65123148
1-methyl-N-[(1-methylcyclopropyl)methyl]piperidin-3-amine
CID 107165978
N-[(1-methylcyclopentyl)methyl]-1-propylpiperidin-4-amine
CID 63822212
1-[[(1-methylpiperidin-4-yl)amino]methyl]cycloheptan-1-ol
CID 60910236
N,N-dimethyl-4-[(1-methylcyclohexyl)methylamino]piperidine-1-carboxamide
CID 103912850
1-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]azepan-4-amine
CID 65070783
3-[[(1-methylazepan-4-yl)amino]methyl]oxolan-3-ol
CID 103904879
2-methyl-3-[[(1-methylazepan-4-yl)amino]methyl]oxolan-3-ol
CID 107270657
N-(cyclobutylmethyl)-1-methylazepan-4-amine
CID 65070057
1-benzyl-N-[(1-methylcyclopentyl)methyl]piperidin-4-amine
CID 63821124
N-[(1,4-dimethylpiperidin-4-yl)methyl]-6-oxaspiro[4.5]decan-9-amine
CID 107163672

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[(1-methylcyclohexyl)methyl]azepan-4-amine?
The IUPAC name of 1-methyl-N-[(1-methylcyclohexyl)methyl]azepan-4-amine (CID 103903498) is 1-methyl-N-[(1-methylcyclohexyl)methyl]azepan-4-amine.
What is the SMILES notation for 1-methyl-N-[(1-methylcyclohexyl)methyl]azepan-4-amine?
The canonical SMILES for 1-methyl-N-[(1-methylcyclohexyl)methyl]azepan-4-amine is CN1CCCC(NCC2(C)CCCCC2)CC1.
What is the InChIKey of 1-methyl-N-[(1-methylcyclohexyl)methyl]azepan-4-amine?
The InChIKey is IJGBAVFVWZAFKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2/c1-15(9-4-3-5-10-15)13-16-14-7-6-11-17(2)12-8-14/h14,16H,3-13H2,1-2H3.
What are the key properties of 1-methyl-N-[(1-methylcyclohexyl)methyl]azepan-4-amine?
1-methyl-N-[(1-methylcyclohexyl)methyl]azepan-4-amine has a molecular weight of 238.42 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[(1-methylcyclohexyl)methyl]azepan-4-amine is sourced from PubChem (CID 103903498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).