2-ethyl-N-(2-phenylcyclohexyl)cyclohexan-1-amine

C20H31N — CID 43784317

IUPAC2-ethyl-N-(2-phenylcyclohexyl)cyclohexan-1-amine
SMILESCCC1CCCCC1NC1CCCCC1c1ccccc1
InChIInChI=1S/C20H31N/c1-2-16-10-6-8-14-19(16)21-20-15-9-7-13-18(20)17-11-4-3-5-12-17/h3-5,11-12,16,18-21H,2,6-10,13-15H2,1H3
InChIKeyNJXZMFZMBSGKAD-UHFFFAOYSA-N
MW285.47 g/mol
LogP5.27
Rot. Bonds4

About 2-ethyl-N-(2-phenylcyclohexyl)cyclohexan-1-amine

2-ethyl-N-(2-phenylcyclohexyl)cyclohexan-1-amine (PubChem CID 43784317) has the molecular formula C20H31N and a molecular weight of 285.47 g/mol. Its IUPAC name is 2-ethyl-N-(2-phenylcyclohexyl)cyclohexan-1-amine.

Molecular Properties

Compound Name2-ethyl-N-(2-phenylcyclohexyl)cyclohexan-1-amine
PubChem CID43784317
Molecular FormulaC20H31N
Molecular Weight285.47 g/mol
Exact Mass285.25
IUPAC Name2-ethyl-N-(2-phenylcyclohexyl)cyclohexan-1-amine
SMILESCCC1CCCCC1NC1CCCCC1c1ccccc1
InChIInChI=1S/C20H31N/c1-2-16-10-6-8-14-19(16)21-20-15-9-7-13-18(20)17-11-4-3-5-12-17/h3-5,11-12,16,18-21H,2,6-10,13-15H2,1H3
InChIKeyNJXZMFZMBSGKAD-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-(4-phenylcyclohexyl)cyclohexan-1-amine
CID 43434154
N-(3-ethylcyclohexyl)-2-phenylcyclohexan-1-amine
CID 64743368
N-(2,3-dimethylcyclopentyl)-2-phenylcyclohexan-1-amine
CID 64909961
2-phenyl-N-propylcyclohexan-1-amine
CID 43755016
N-benzyl-2-ethylcyclohexan-1-amine
CID 43434056
2-ethyl-N-(2-ethylcyclopropyl)cyclohexan-1-amine
CID 103960948
trans-(1R,2S)-N-tert-butyl-2-phenylcyclohexan-1-amine
CID 159407891
N-(2,2-dimethylpropyl)-2-phenylcyclohexan-1-amine
CID 61166824
N-[(1-methylcyclopentyl)methyl]-2-phenylcyclohexan-1-amine
CID 63821128
cis-(1S,2S)-2-ethyl-N-[(1S)-1-phenylethyl]cyclohexan-1-amine
CID 58193955
3-[[(2-phenylcyclohexyl)amino]methyl]pentan-3-ol
CID 65105347
N-(cyclohexylmethyl)-2-phenylcyclohexan-1-amine
CID 43775635

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-(2-phenylcyclohexyl)cyclohexan-1-amine?
The IUPAC name of 2-ethyl-N-(2-phenylcyclohexyl)cyclohexan-1-amine (CID 43784317) is 2-ethyl-N-(2-phenylcyclohexyl)cyclohexan-1-amine.
What is the SMILES notation for 2-ethyl-N-(2-phenylcyclohexyl)cyclohexan-1-amine?
The canonical SMILES for 2-ethyl-N-(2-phenylcyclohexyl)cyclohexan-1-amine is CCC1CCCCC1NC1CCCCC1c1ccccc1.
What is the InChIKey of 2-ethyl-N-(2-phenylcyclohexyl)cyclohexan-1-amine?
The InChIKey is NJXZMFZMBSGKAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N/c1-2-16-10-6-8-14-19(16)21-20-15-9-7-13-18(20)17-11-4-3-5-12-17/h3-5,11-12,16,18-21H,2,6-10,13-15H2,1H3.
What are the key properties of 2-ethyl-N-(2-phenylcyclohexyl)cyclohexan-1-amine?
2-ethyl-N-(2-phenylcyclohexyl)cyclohexan-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 2-ethyl-N-(2-phenylcyclohexyl)cyclohexan-1-amine is sourced from PubChem (CID 43784317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).