4-N-(4-phenylcyclohexyl)cyclohexane-1,4-diamine

C18H28N2 — CID 62314935

IUPAC4-N-(4-phenylcyclohexyl)cyclohexane-1,4-diamine
SMILESNC1CCC(NC2CCC(c3ccccc3)CC2)CC1
InChIInChI=1S/C18H28N2/c19-16-8-12-18(13-9-16)20-17-10-6-15(7-11-17)14-4-2-1-3-5-14/h1-5,15-18,20H,6-13,19H2
InChIKeyXVKFUJSPAQZUCV-UHFFFAOYSA-N
MW272.44 g/mol
LogP3.57
Rot. Bonds3

About 4-N-(4-phenylcyclohexyl)cyclohexane-1,4-diamine

4-N-(4-phenylcyclohexyl)cyclohexane-1,4-diamine (PubChem CID 62314935) has the molecular formula C18H28N2 and a molecular weight of 272.44 g/mol. Its IUPAC name is 4-N-(4-phenylcyclohexyl)cyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-(4-phenylcyclohexyl)cyclohexane-1,4-diamine
PubChem CID62314935
Molecular FormulaC18H28N2
Molecular Weight272.44 g/mol
Exact Mass272.23
IUPAC Name4-N-(4-phenylcyclohexyl)cyclohexane-1,4-diamine
SMILESNC1CCC(NC2CCC(c3ccccc3)CC2)CC1
InChIInChI=1S/C18H28N2/c19-16-8-12-18(13-9-16)20-17-10-6-15(7-11-17)14-4-2-1-3-5-14/h1-5,15-18,20H,6-13,19H2
InChIKeyXVKFUJSPAQZUCV-UHFFFAOYSA-N
XLogP3.57
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.44
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-methyl-N-(4-phenylcyclohexyl)piperidin-4-amine
CID 43215929
benzene;cyclopropylbenzene
CID 144638417
N-(4-phenylcyclohexyl)azepan-4-amine
CID 103981014
2,2-dimethyl-N-(4-phenylcyclohexyl)-1,3-dioxan-5-amine
CID 104585329
4-N-(2,3-dihydro-1H-inden-2-yl)cyclohexane-1,4-diamine
CID 62313141
N-(2,3-dimethylcyclopentyl)-4-phenylcyclohexan-1-amine
CID 64908026
4-N-(1-phenylpiperidin-4-yl)cyclohexane-1,4-diamine
CID 102672687
1,2-dimethyl-N-(4-phenylcyclohexyl)piperidin-4-amine
CID 81297051
cyclopropylbenzene;ethylhydrazine
CID 22346635
4-N-[3-(4-chlorophenyl)cyclobutyl]cyclohexane-1,4-diamine
CID 62318692
3-N-(4-aminocyclohexyl)-2,3-dihydro-1H-indene-1,3-diamine
CID 113365122
2-methyl-N-(4-phenylcyclohexyl)thiolan-3-amine
CID 102672829

Frequently Asked Questions

What is the IUPAC name of 4-N-(4-phenylcyclohexyl)cyclohexane-1,4-diamine?
The IUPAC name of 4-N-(4-phenylcyclohexyl)cyclohexane-1,4-diamine (CID 62314935) is 4-N-(4-phenylcyclohexyl)cyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-(4-phenylcyclohexyl)cyclohexane-1,4-diamine?
The canonical SMILES for 4-N-(4-phenylcyclohexyl)cyclohexane-1,4-diamine is NC1CCC(NC2CCC(c3ccccc3)CC2)CC1.
What is the InChIKey of 4-N-(4-phenylcyclohexyl)cyclohexane-1,4-diamine?
The InChIKey is XVKFUJSPAQZUCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2/c19-16-8-12-18(13-9-16)20-17-10-6-15(7-11-17)14-4-2-1-3-5-14/h1-5,15-18,20H,6-13,19H2.
What are the key properties of 4-N-(4-phenylcyclohexyl)cyclohexane-1,4-diamine?
4-N-(4-phenylcyclohexyl)cyclohexane-1,4-diamine has a molecular weight of 272.44 g/mol, XLogP of 3.57, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-phenylcyclohexyl)cyclohexane-1,4-diamine is sourced from PubChem (CID 62314935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).