N-(1-cyclohexylethyl)-4-phenylcyclohexan-1-amine

C20H31N — CID 43779146

IUPACN-(1-cyclohexylethyl)-4-phenylcyclohexan-1-amine
SMILESCC(NC1CCC(c2ccccc2)CC1)C1CCCCC1
InChIInChI=1S/C20H31N/c1-16(17-8-4-2-5-9-17)21-20-14-12-19(13-15-20)18-10-6-3-7-11-18/h3,6-7,10-11,16-17,19-21H,2,4-5,8-9,12-15H2,1H3
InChIKeyOZWGIKAOOXKVLP-UHFFFAOYSA-N
MW285.47 g/mol
LogP5.27
Rot. Bonds4

About N-(1-cyclohexylethyl)-4-phenylcyclohexan-1-amine

N-(1-cyclohexylethyl)-4-phenylcyclohexan-1-amine (PubChem CID 43779146) has the molecular formula C20H31N and a molecular weight of 285.47 g/mol. Its IUPAC name is N-(1-cyclohexylethyl)-4-phenylcyclohexan-1-amine.

Molecular Properties

Compound NameN-(1-cyclohexylethyl)-4-phenylcyclohexan-1-amine
PubChem CID43779146
Molecular FormulaC20H31N
Molecular Weight285.47 g/mol
Exact Mass285.25
IUPAC NameN-(1-cyclohexylethyl)-4-phenylcyclohexan-1-amine
SMILESCC(NC1CCC(c2ccccc2)CC1)C1CCCCC1
InChIInChI=1S/C20H31N/c1-16(17-8-4-2-5-9-17)21-20-14-12-19(13-15-20)18-10-6-3-7-11-18/h3,6-7,10-11,16-17,19-21H,2,4-5,8-9,12-15H2,1H3
InChIKeyOZWGIKAOOXKVLP-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

N-(1-ethylsulfonylpropan-2-yl)-4-phenylcyclohexan-1-amine
CID 115889867
N-[(1S)-1-cycloheptylethyl]cycloheptanamine
CID 81389840
CID 159076923
CID 159076923
N-(1-methylsulfanylpropan-2-yl)-4-phenylcyclohexan-1-amine
CID 115721718
N-[(1R)-1-cycloheptylethyl]-4-propan-2-ylcyclohexan-1-amine
CID 81393268
N-(1-cyclohexylethyl)-4-propan-2-ylcyclohexan-1-amine
CID 63478862
N-(1-cyclopropylethyl)cyclohexanamine
CID 43177177
3-(4-bromophenyl)-N-[(1R)-1-cycloheptylethyl]cyclobutan-1-amine
CID 81390863
4-phenyl-N-(1-thiophen-2-ylethyl)cyclohexan-1-amine
CID 43081859
3-(4-bromophenyl)-N-[(1R)-1-cyclohexylethyl]cyclobutan-1-amine
CID 81384574
(1S)-1-cycloheptyl-N-[(3-cyclopropylphenyl)methyl]ethanamine
CID 81391460
N-[(1R)-1-cyclopropylethyl]cyclopropanamine
CID 28819115

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclohexylethyl)-4-phenylcyclohexan-1-amine?
The IUPAC name of N-(1-cyclohexylethyl)-4-phenylcyclohexan-1-amine (CID 43779146) is N-(1-cyclohexylethyl)-4-phenylcyclohexan-1-amine.
What is the SMILES notation for N-(1-cyclohexylethyl)-4-phenylcyclohexan-1-amine?
The canonical SMILES for N-(1-cyclohexylethyl)-4-phenylcyclohexan-1-amine is CC(NC1CCC(c2ccccc2)CC1)C1CCCCC1.
What is the InChIKey of N-(1-cyclohexylethyl)-4-phenylcyclohexan-1-amine?
The InChIKey is OZWGIKAOOXKVLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N/c1-16(17-8-4-2-5-9-17)21-20-14-12-19(13-15-20)18-10-6-3-7-11-18/h3,6-7,10-11,16-17,19-21H,2,4-5,8-9,12-15H2,1H3.
What are the key properties of N-(1-cyclohexylethyl)-4-phenylcyclohexan-1-amine?
N-(1-cyclohexylethyl)-4-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-(1-cyclohexylethyl)-4-phenylcyclohexan-1-amine is sourced from PubChem (CID 43779146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).