1-[3-(2-cycloheptylethyl)cyclohexyl]-N-methylbutan-1-amine

C20H39N — CID 170003941

IUPAC1-[3-(2-cycloheptylethyl)cyclohexyl]-N-methylbutan-1-amine
SMILESCCCC(NC)C1CCCC(CCC2CCCCCC2)C1
InChIInChI=1S/C20H39N/c1-3-9-20(21-2)19-13-8-12-18(16-19)15-14-17-10-6-4-5-7-11-17/h17-21H,3-16H2,1-2H3
InChIKeyOCMLKIACQMIAOV-UHFFFAOYSA-N
MW293.54 g/mol
LogP5.93
Rot. Bonds7

About 1-[3-(2-cycloheptylethyl)cyclohexyl]-N-methylbutan-1-amine

1-[3-(2-cycloheptylethyl)cyclohexyl]-N-methylbutan-1-amine (PubChem CID 170003941) has the molecular formula C20H39N and a molecular weight of 293.54 g/mol. Its IUPAC name is 1-[3-(2-cycloheptylethyl)cyclohexyl]-N-methylbutan-1-amine.

Molecular Properties

Compound Name1-[3-(2-cycloheptylethyl)cyclohexyl]-N-methylbutan-1-amine
PubChem CID170003941
Molecular FormulaC20H39N
Molecular Weight293.54 g/mol
Exact Mass293.31
IUPAC Name1-[3-(2-cycloheptylethyl)cyclohexyl]-N-methylbutan-1-amine
SMILESCCCC(NC)C1CCCC(CCC2CCCCCC2)C1
InChIInChI=1S/C20H39N/c1-3-9-20(21-2)19-13-8-12-18(16-19)15-14-17-10-6-4-5-7-11-17/h17-21H,3-16H2,1-2H3
InChIKeyOCMLKIACQMIAOV-UHFFFAOYSA-N
XLogP5.93
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500293.54
LogP ≤ 55.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-methyl-1-(4-propylcyclohexyl)butan-1-amine
CID 65423384
3-cyclohexyl-1-(3,4-dimethylcyclohexyl)-N-methylpropan-1-amine
CID 104989179
1-(3-ethylcyclohexyl)-4-methoxy-N-methylpentan-1-amine
CID 105156121
1-(3-ethylcyclohexyl)-N-methylhex-5-en-1-amine
CID 65414544
1-(3-ethylcyclohexyl)-N-methylpent-3-yn-1-amine
CID 65415557
1-cyclohexylhexan-3-amine
CID 43370456
3-cyclohexyl-N-methylhexan-2-amine;hydrochloride
CID 163567142
N-methyl-3-pentan-2-ylcyclohexan-1-amine
CID 107888158
1-(2,6-dimethylcyclohexyl)-N-methylbutan-1-amine
CID 83047113
1-(3-ethylcyclohexyl)-N-methyl-2-(1-methylimidazol-2-yl)ethanamine
CID 79761386
1-cycloheptyl-N,3-dimethylhexan-2-amine
CID 107893929
1-cyclohexyl-N-methyl-3-propoxypropan-1-amine
CID 105079512

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-cycloheptylethyl)cyclohexyl]-N-methylbutan-1-amine?
The IUPAC name of 1-[3-(2-cycloheptylethyl)cyclohexyl]-N-methylbutan-1-amine (CID 170003941) is 1-[3-(2-cycloheptylethyl)cyclohexyl]-N-methylbutan-1-amine.
What is the SMILES notation for 1-[3-(2-cycloheptylethyl)cyclohexyl]-N-methylbutan-1-amine?
The canonical SMILES for 1-[3-(2-cycloheptylethyl)cyclohexyl]-N-methylbutan-1-amine is CCCC(NC)C1CCCC(CCC2CCCCCC2)C1.
What is the InChIKey of 1-[3-(2-cycloheptylethyl)cyclohexyl]-N-methylbutan-1-amine?
The InChIKey is OCMLKIACQMIAOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H39N/c1-3-9-20(21-2)19-13-8-12-18(16-19)15-14-17-10-6-4-5-7-11-17/h17-21H,3-16H2,1-2H3.
What are the key properties of 1-[3-(2-cycloheptylethyl)cyclohexyl]-N-methylbutan-1-amine?
1-[3-(2-cycloheptylethyl)cyclohexyl]-N-methylbutan-1-amine has a molecular weight of 293.54 g/mol, XLogP of 5.93, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-cycloheptylethyl)cyclohexyl]-N-methylbutan-1-amine is sourced from PubChem (CID 170003941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).