1-(1-phenylcyclohexyl)octan-1-amine

C20H33N — CID 63417810

IUPAC1-(1-phenylcyclohexyl)octan-1-amine
SMILESCCCCCCCC(N)C1(c2ccccc2)CCCCC1
InChIInChI=1S/C20H33N/c1-2-3-4-5-10-15-19(21)20(16-11-7-12-17-20)18-13-8-6-9-14-18/h6,8-9,13-14,19H,2-5,7,10-12,15-17,21H2,1H3
InChIKeyWPKKKJPXQUXMBR-UHFFFAOYSA-N
MW287.49 g/mol
LogP5.58
Rot. Bonds8

About 1-(1-phenylcyclohexyl)octan-1-amine

1-(1-phenylcyclohexyl)octan-1-amine (PubChem CID 63417810) has the molecular formula C20H33N and a molecular weight of 287.49 g/mol. Its IUPAC name is 1-(1-phenylcyclohexyl)octan-1-amine.

Molecular Properties

Compound Name1-(1-phenylcyclohexyl)octan-1-amine
PubChem CID63417810
Molecular FormulaC20H33N
Molecular Weight287.49 g/mol
Exact Mass287.26
IUPAC Name1-(1-phenylcyclohexyl)octan-1-amine
SMILESCCCCCCCC(N)C1(c2ccccc2)CCCCC1
InChIInChI=1S/C20H33N/c1-2-3-4-5-10-15-19(21)20(16-11-7-12-17-20)18-13-8-6-9-14-18/h6,8-9,13-14,19H,2-5,7,10-12,15-17,21H2,1H3
InChIKeyWPKKKJPXQUXMBR-UHFFFAOYSA-N
XLogP5.58
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.49
LogP ≤ 55.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-methyl-1-(1-phenylcyclohexyl)heptan-1-amine
CID 63418164
1-(1-phenylcyclohexyl)pentan-1-ol
CID 55187170
4-methoxy-1-(1-phenylcyclobutyl)butan-1-amine
CID 113230930
3-methoxy-1-(1-phenylcyclopentyl)propan-1-amine
CID 114993811
N-ethyl-1-(1-phenylcyclohexyl)pentan-1-amine
CID 63417587
(1R)-1-(1-phenylcyclohexyl)ethanamine
CID 78998571
3-methyl-1-(1-phenylcyclopentyl)butan-1-amine
CID 63080300
2-methyl-1-(1-phenylcyclopropyl)pentan-1-amine
CID 107893368
N-ethyl-1-(1-phenylcyclopropyl)hexan-1-amine
CID 63080234
1-(1-methoxycyclohexyl)undecan-1-amine
CID 116762708
1-(1-aminooctyl)-N,N-dimethylcyclopentan-1-amine
CID 79067548
1-(1-phenylcyclohexyl)-2-propan-2-yloxyethanamine
CID 79574267

Frequently Asked Questions

What is the IUPAC name of 1-(1-phenylcyclohexyl)octan-1-amine?
The IUPAC name of 1-(1-phenylcyclohexyl)octan-1-amine (CID 63417810) is 1-(1-phenylcyclohexyl)octan-1-amine.
What is the SMILES notation for 1-(1-phenylcyclohexyl)octan-1-amine?
The canonical SMILES for 1-(1-phenylcyclohexyl)octan-1-amine is CCCCCCCC(N)C1(c2ccccc2)CCCCC1.
What is the InChIKey of 1-(1-phenylcyclohexyl)octan-1-amine?
The InChIKey is WPKKKJPXQUXMBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N/c1-2-3-4-5-10-15-19(21)20(16-11-7-12-17-20)18-13-8-6-9-14-18/h6,8-9,13-14,19H,2-5,7,10-12,15-17,21H2,1H3.
What are the key properties of 1-(1-phenylcyclohexyl)octan-1-amine?
1-(1-phenylcyclohexyl)octan-1-amine has a molecular weight of 287.49 g/mol, XLogP of 5.58, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-phenylcyclohexyl)octan-1-amine is sourced from PubChem (CID 63417810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).