N-(3-ethylcyclohexyl)-2-phenylcyclohexan-1-amine

C20H31N — CID 64743368

IUPACN-(3-ethylcyclohexyl)-2-phenylcyclohexan-1-amine
SMILESCCC1CCCC(NC2CCCCC2c2ccccc2)C1
InChIInChI=1S/C20H31N/c1-2-16-9-8-12-18(15-16)21-20-14-7-6-13-19(20)17-10-4-3-5-11-17/h3-5,10-11,16,18-21H,2,6-9,12-15H2,1H3
InChIKeyXUSCCDKLDFBKJO-UHFFFAOYSA-N
MW285.47 g/mol
LogP5.27
Rot. Bonds4

About N-(3-ethylcyclohexyl)-2-phenylcyclohexan-1-amine

N-(3-ethylcyclohexyl)-2-phenylcyclohexan-1-amine (PubChem CID 64743368) has the molecular formula C20H31N and a molecular weight of 285.47 g/mol. Its IUPAC name is N-(3-ethylcyclohexyl)-2-phenylcyclohexan-1-amine.

Molecular Properties

Compound NameN-(3-ethylcyclohexyl)-2-phenylcyclohexan-1-amine
PubChem CID64743368
Molecular FormulaC20H31N
Molecular Weight285.47 g/mol
Exact Mass285.25
IUPAC NameN-(3-ethylcyclohexyl)-2-phenylcyclohexan-1-amine
SMILESCCC1CCCC(NC2CCCCC2c2ccccc2)C1
InChIInChI=1S/C20H31N/c1-2-16-9-8-12-18(15-16)21-20-14-7-6-13-19(20)17-10-4-3-5-11-17/h3-5,10-11,16,18-21H,2,6-9,12-15H2,1H3
InChIKeyXUSCCDKLDFBKJO-UHFFFAOYSA-N
XLogP5.27
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500285.47
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-ethyl-N-(2-phenylcyclohexyl)cyclohexan-1-amine
CID 43784317
3-ethyl-N-[3-(2-fluorophenyl)cyclobutyl]cyclohexan-1-amine
CID 64742391
2-phenyl-N-propylcyclohexan-1-amine
CID 43755016
N-(cyclohexylmethyl)-2-phenylcyclohexan-1-amine
CID 43775635
N-(2-phenylcyclohexyl)oxolan-3-amine
CID 80716893
N-(2,3-dimethylcyclopentyl)-2-phenylcyclohexan-1-amine
CID 64909961
2-[(3-ethylcyclohexyl)amino]-2-phenylpropan-1-ol
CID 115907205
2-amino-N-(3-ethylcyclohexyl)benzamide
CID 64743131
N-[(3-methylcyclopentyl)methyl]-2-phenylcyclohexan-1-amine
CID 107412166
4-ethyl-N-(3-ethylcyclohexyl)cycloheptan-1-amine
CID 65088157
trans-(1R,2S)-N-tert-butyl-2-phenylcyclohexan-1-amine
CID 159407891
N-(3-ethylcyclohexyl)-2-hydrazinylbenzamide
CID 64750344

Frequently Asked Questions

What is the IUPAC name of N-(3-ethylcyclohexyl)-2-phenylcyclohexan-1-amine?
The IUPAC name of N-(3-ethylcyclohexyl)-2-phenylcyclohexan-1-amine (CID 64743368) is N-(3-ethylcyclohexyl)-2-phenylcyclohexan-1-amine.
What is the SMILES notation for N-(3-ethylcyclohexyl)-2-phenylcyclohexan-1-amine?
The canonical SMILES for N-(3-ethylcyclohexyl)-2-phenylcyclohexan-1-amine is CCC1CCCC(NC2CCCCC2c2ccccc2)C1.
What is the InChIKey of N-(3-ethylcyclohexyl)-2-phenylcyclohexan-1-amine?
The InChIKey is XUSCCDKLDFBKJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N/c1-2-16-9-8-12-18(15-16)21-20-14-7-6-13-19(20)17-10-4-3-5-11-17/h3-5,10-11,16,18-21H,2,6-9,12-15H2,1H3.
What are the key properties of N-(3-ethylcyclohexyl)-2-phenylcyclohexan-1-amine?
N-(3-ethylcyclohexyl)-2-phenylcyclohexan-1-amine has a molecular weight of 285.47 g/mol, XLogP of 5.27, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethylcyclohexyl)-2-phenylcyclohexan-1-amine is sourced from PubChem (CID 64743368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).