4-[[2-cyclohexylethyl(methyl)amino]methyl]-N-methylcyclohexan-1-amine

C17H34N2 — CID 115213754

IUPAC4-[[2-cyclohexylethyl(methyl)amino]methyl]-N-methylcyclohexan-1-amine
SMILESCNC1CCC(CN(C)CCC2CCCCC2)CC1
InChIInChI=1S/C17H34N2/c1-18-17-10-8-16(9-11-17)14-19(2)13-12-15-6-4-3-5-7-15/h15-18H,3-14H2,1-2H3
InChIKeyXPYOGYGQIXBIHZ-UHFFFAOYSA-N
MW266.47 g/mol
LogP3.67
Rot. Bonds6

About 4-[[2-cyclohexylethyl(methyl)amino]methyl]-N-methylcyclohexan-1-amine

4-[[2-cyclohexylethyl(methyl)amino]methyl]-N-methylcyclohexan-1-amine (PubChem CID 115213754) has the molecular formula C17H34N2 and a molecular weight of 266.47 g/mol. Its IUPAC name is 4-[[2-cyclohexylethyl(methyl)amino]methyl]-N-methylcyclohexan-1-amine.

Molecular Properties

Compound Name4-[[2-cyclohexylethyl(methyl)amino]methyl]-N-methylcyclohexan-1-amine
PubChem CID115213754
Molecular FormulaC17H34N2
Molecular Weight266.47 g/mol
Exact Mass266.27
IUPAC Name4-[[2-cyclohexylethyl(methyl)amino]methyl]-N-methylcyclohexan-1-amine
SMILESCNC1CCC(CN(C)CCC2CCCCC2)CC1
InChIInChI=1S/C17H34N2/c1-18-17-10-8-16(9-11-17)14-19(2)13-12-15-6-4-3-5-7-15/h15-18H,3-14H2,1-2H3
InChIKeyXPYOGYGQIXBIHZ-UHFFFAOYSA-N
XLogP3.67
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.47
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-(cyclohexylmethyl)-N-cyclopropyl-N'-methylbutane-1,4-diamine
CID 62412368
N'-(cyclohexylmethyl)-N-(cyclopropylmethyl)-N'-methylethane-1,2-diamine
CID 61447834
N'-(cyclohexylmethyl)-N'-methyl-N-(4-methylcyclohexyl)ethane-1,2-diamine
CID 63501893
N-methyl-4-[[methyl(oxan-4-ylmethyl)amino]methyl]cyclohexan-1-amine
CID 115213705
N-[(4-ethylcyclohexyl)methyl]-N-methyl-2-[3-(methylaminomethyl)cyclobutyl]ethanamine
CID 166996451
N-(cyclopentylmethyl)-N-methylpropan-1-amine
CID 67817061
4-[cyclopentylmethyl(methyl)amino]-2-(cyclopropylamino)-2-methylbutanoic acid
CID 55249059
N'-(cyclopentylmethyl)-N'-methylethane-1,2-diamine
CID 55151127
N-(cyclohexylmethyl)-N-methylbutan-1-amine;ethane
CID 142936949
1-[2-[cyclobutylmethyl(methyl)amino]ethyl]-N-methylcyclohexan-1-amine
CID 65241545
1-cyclohexyl-N'-(cyclohexylmethyl)-N,N'-dimethylethane-1,2-diamine
CID 104745310
N'-(cyclopentylmethyl)-N,N'-dimethylpentane-1,5-diamine
CID 63655712

Frequently Asked Questions

What is the IUPAC name of 4-[[2-cyclohexylethyl(methyl)amino]methyl]-N-methylcyclohexan-1-amine?
The IUPAC name of 4-[[2-cyclohexylethyl(methyl)amino]methyl]-N-methylcyclohexan-1-amine (CID 115213754) is 4-[[2-cyclohexylethyl(methyl)amino]methyl]-N-methylcyclohexan-1-amine.
What is the SMILES notation for 4-[[2-cyclohexylethyl(methyl)amino]methyl]-N-methylcyclohexan-1-amine?
The canonical SMILES for 4-[[2-cyclohexylethyl(methyl)amino]methyl]-N-methylcyclohexan-1-amine is CNC1CCC(CN(C)CCC2CCCCC2)CC1.
What is the InChIKey of 4-[[2-cyclohexylethyl(methyl)amino]methyl]-N-methylcyclohexan-1-amine?
The InChIKey is XPYOGYGQIXBIHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2/c1-18-17-10-8-16(9-11-17)14-19(2)13-12-15-6-4-3-5-7-15/h15-18H,3-14H2,1-2H3.
What are the key properties of 4-[[2-cyclohexylethyl(methyl)amino]methyl]-N-methylcyclohexan-1-amine?
4-[[2-cyclohexylethyl(methyl)amino]methyl]-N-methylcyclohexan-1-amine has a molecular weight of 266.47 g/mol, XLogP of 3.67, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-cyclohexylethyl(methyl)amino]methyl]-N-methylcyclohexan-1-amine is sourced from PubChem (CID 115213754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).