N-(4-phenylcyclohexyl)azepan-4-amine

C18H28N2 — CID 103981014

IUPACN-(4-phenylcyclohexyl)azepan-4-amine
SMILESc1ccc(C2CCC(NC3CCCNCC3)CC2)cc1
InChIInChI=1S/C18H28N2/c1-2-5-15(6-3-1)16-8-10-18(11-9-16)20-17-7-4-13-19-14-12-17/h1-3,5-6,16-20H,4,7-14H2
InChIKeyZCRSXRQINOCTDH-UHFFFAOYSA-N
MW272.44 g/mol
LogP3.44
Rot. Bonds3

About N-(4-phenylcyclohexyl)azepan-4-amine

N-(4-phenylcyclohexyl)azepan-4-amine (PubChem CID 103981014) has the molecular formula C18H28N2 and a molecular weight of 272.44 g/mol. Its IUPAC name is N-(4-phenylcyclohexyl)azepan-4-amine.

Molecular Properties

Compound NameN-(4-phenylcyclohexyl)azepan-4-amine
PubChem CID103981014
Molecular FormulaC18H28N2
Molecular Weight272.44 g/mol
Exact Mass272.23
IUPAC NameN-(4-phenylcyclohexyl)azepan-4-amine
SMILESc1ccc(C2CCC(NC3CCCNCC3)CC2)cc1
InChIInChI=1S/C18H28N2/c1-2-5-15(6-3-1)16-8-10-18(11-9-16)20-17-7-4-13-19-14-12-17/h1-3,5-6,16-20H,4,7-14H2
InChIKeyZCRSXRQINOCTDH-UHFFFAOYSA-N
XLogP3.44
TPSA24.06 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 ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-N-(4-phenylcyclohexyl)cyclohexane-1,4-diamine
CID 62314935
4-phenylazocane
CID 19847318
4-phenylpiperidine;sulfane;hydrochloride
CID 174499697
methanamine;4-phenylpiperidine
CID 143444696
1-methyl-N-(4-phenylcyclohexyl)piperidin-4-amine
CID 43215929
benzene;cyclopropylbenzene
CID 144638417
2-(4-phenylcyclohexyl)-N-piperidin-3-ylacetamide;hydrochloride
CID 119427918
N-(2,3-dimethylcyclopentyl)-4-phenylcyclohexan-1-amine
CID 64908026
4-(4-cyclohexylphenyl)azepane
CID 82300190
N-(4-phenylcyclohexyl)-2-piperidin-4-ylacetamide;hydrochloride
CID 119716224
2,2-dimethyl-N-(4-phenylcyclohexyl)-1,3-dioxan-5-amine
CID 104585329
N-[(4S)-azepan-4-yl]benzamide
CID 146196053

Frequently Asked Questions

What is the IUPAC name of N-(4-phenylcyclohexyl)azepan-4-amine?
The IUPAC name of N-(4-phenylcyclohexyl)azepan-4-amine (CID 103981014) is N-(4-phenylcyclohexyl)azepan-4-amine.
What is the SMILES notation for N-(4-phenylcyclohexyl)azepan-4-amine?
The canonical SMILES for N-(4-phenylcyclohexyl)azepan-4-amine is c1ccc(C2CCC(NC3CCCNCC3)CC2)cc1.
What is the InChIKey of N-(4-phenylcyclohexyl)azepan-4-amine?
The InChIKey is ZCRSXRQINOCTDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2/c1-2-5-15(6-3-1)16-8-10-18(11-9-16)20-17-7-4-13-19-14-12-17/h1-3,5-6,16-20H,4,7-14H2.
What are the key properties of N-(4-phenylcyclohexyl)azepan-4-amine?
N-(4-phenylcyclohexyl)azepan-4-amine has a molecular weight of 272.44 g/mol, XLogP of 3.44, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-phenylcyclohexyl)azepan-4-amine is sourced from PubChem (CID 103981014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).