N-octan-4-yl-2-phenylcyclohexan-1-amine

C20H33N — CID 106023658

IUPACN-octan-4-yl-2-phenylcyclohexan-1-amine
SMILESCCCCC(CCC)NC1CCCCC1c1ccccc1
InChIInChI=1S/C20H33N/c1-3-5-14-18(11-4-2)21-20-16-10-9-15-19(20)17-12-7-6-8-13-17/h6-8,12-13,18-21H,3-5,9-11,14-16H2,1-2H3
InChIKeyOZCRRBRLAPIFFH-UHFFFAOYSA-N
MW287.49 g/mol
LogP5.66
Rot. Bonds8

About N-octan-4-yl-2-phenylcyclohexan-1-amine

N-octan-4-yl-2-phenylcyclohexan-1-amine (PubChem CID 106023658) has the molecular formula C20H33N and a molecular weight of 287.49 g/mol. Its IUPAC name is N-octan-4-yl-2-phenylcyclohexan-1-amine.

Molecular Properties

Compound NameN-octan-4-yl-2-phenylcyclohexan-1-amine
PubChem CID106023658
Molecular FormulaC20H33N
Molecular Weight287.49 g/mol
Exact Mass287.26
IUPAC NameN-octan-4-yl-2-phenylcyclohexan-1-amine
SMILESCCCCC(CCC)NC1CCCCC1c1ccccc1
InChIInChI=1S/C20H33N/c1-3-5-14-18(11-4-2)21-20-16-10-9-15-19(20)17-12-7-6-8-13-17/h6-8,12-13,18-21H,3-5,9-11,14-16H2,1-2H3
InChIKeyOZCRRBRLAPIFFH-UHFFFAOYSA-N
XLogP5.66
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500287.49
LogP ≤ 55.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-[(2-phenylcyclohexyl)amino]pentan-1-ol
CID 115723129
N-hex-1-yn-3-yl-2-phenylcyclohexan-1-amine
CID 106227111
2-phenyl-N-propylcyclohexan-1-amine
CID 43755016
N-but-3-en-2-yl-2-phenylcyclohexan-1-amine
CID 115908185
2-ethyl-N-(2-phenylcyclohexyl)cyclohexan-1-amine
CID 43784317
N-octan-4-ylaniline
CID 12779854
N-heptan-4-yl-2-methylcyclohexan-1-amine
CID 43097186
N-(3-ethoxypropyl)-2-phenylcyclohexan-1-amine
CID 43765298
4-methyl-N-octan-4-yl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 106023724
trans-(1R,2S)-N-tert-butyl-2-phenylcyclohexan-1-amine
CID 159407891
1-N,2-N-di(hexan-3-yl)cyclohexane-1,2-diamine
CID 67216091
N-(2,2-dimethylpropyl)-2-phenylcyclohexan-1-amine
CID 61166824

Frequently Asked Questions

What is the IUPAC name of N-octan-4-yl-2-phenylcyclohexan-1-amine?
The IUPAC name of N-octan-4-yl-2-phenylcyclohexan-1-amine (CID 106023658) is N-octan-4-yl-2-phenylcyclohexan-1-amine.
What is the SMILES notation for N-octan-4-yl-2-phenylcyclohexan-1-amine?
The canonical SMILES for N-octan-4-yl-2-phenylcyclohexan-1-amine is CCCCC(CCC)NC1CCCCC1c1ccccc1.
What is the InChIKey of N-octan-4-yl-2-phenylcyclohexan-1-amine?
The InChIKey is OZCRRBRLAPIFFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N/c1-3-5-14-18(11-4-2)21-20-16-10-9-15-19(20)17-12-7-6-8-13-17/h6-8,12-13,18-21H,3-5,9-11,14-16H2,1-2H3.
What are the key properties of N-octan-4-yl-2-phenylcyclohexan-1-amine?
N-octan-4-yl-2-phenylcyclohexan-1-amine has a molecular weight of 287.49 g/mol, XLogP of 5.66, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-octan-4-yl-2-phenylcyclohexan-1-amine is sourced from PubChem (CID 106023658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).