1-[4-(4-methylcyclohexyl)phenyl]cyclopentan-1-amine

C18H27N — CID 117397303

IUPAC1-[4-(4-methylcyclohexyl)phenyl]cyclopentan-1-amine
SMILESCC1CCC(c2ccc(C3(N)CCCC3)cc2)CC1
InChIInChI=1S/C18H27N/c1-14-4-6-15(7-5-14)16-8-10-17(11-9-16)18(19)12-2-3-13-18/h8-11,14-15H,2-7,12-13,19H2,1H3
InChIKeyPVCIYVUKKFNACI-UHFFFAOYSA-N
MW257.42 g/mol
LogP4.71
Rot. Bonds2

About 1-[4-(4-methylcyclohexyl)phenyl]cyclopentan-1-amine

1-[4-(4-methylcyclohexyl)phenyl]cyclopentan-1-amine (PubChem CID 117397303) has the molecular formula C18H27N and a molecular weight of 257.42 g/mol. Its IUPAC name is 1-[4-(4-methylcyclohexyl)phenyl]cyclopentan-1-amine.

Molecular Properties

Compound Name1-[4-(4-methylcyclohexyl)phenyl]cyclopentan-1-amine
PubChem CID117397303
Molecular FormulaC18H27N
Molecular Weight257.42 g/mol
Exact Mass257.21
IUPAC Name1-[4-(4-methylcyclohexyl)phenyl]cyclopentan-1-amine
SMILESCC1CCC(c2ccc(C3(N)CCCC3)cc2)CC1
InChIInChI=1S/C18H27N/c1-14-4-6-15(7-5-14)16-8-10-17(11-9-16)18(19)12-2-3-13-18/h8-11,14-15H,2-7,12-13,19H2,1H3
InChIKeyPVCIYVUKKFNACI-UHFFFAOYSA-N
XLogP4.71
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.42
LogP ≤ 54.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-cyclopentylphenyl)cyclohexan-1-amine
CID 117360957
1-[4-(4-tert-butylcyclohexyl)phenyl]cyclobutan-1-amine
CID 117460035
1-[3-(4-methylcyclohexyl)phenyl]cyclopentan-1-amine
CID 117397302
4-methyl-1-(4-methylphenyl)cycloheptan-1-amine
CID 65080008
1-[4-(oxan-4-yl)phenyl]cyclobutan-1-amine
CID 117334927
1-[4-(oxetan-3-yl)phenyl]cyclopentan-1-amine
CID 117309769
[1-[4-(4-methylcyclohexyl)phenyl]cyclopropyl]methanamine
CID 117360901
4-methyl-1-(4-propylphenyl)cycloheptan-1-amine
CID 65081348
1-[4-(thietan-3-yl)phenyl]cyclobutan-1-amine
CID 117313476
4-methyl-1-phenylcyclohexan-1-amine;hydrochloride
CID 45259718
4-methyl-1-(4-propoxyphenyl)cycloheptan-1-amine
CID 65081135
1-[1-(4-cyclopropylphenyl)cyclopentyl]ethanamine
CID 117047052

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-methylcyclohexyl)phenyl]cyclopentan-1-amine?
The IUPAC name of 1-[4-(4-methylcyclohexyl)phenyl]cyclopentan-1-amine (CID 117397303) is 1-[4-(4-methylcyclohexyl)phenyl]cyclopentan-1-amine.
What is the SMILES notation for 1-[4-(4-methylcyclohexyl)phenyl]cyclopentan-1-amine?
The canonical SMILES for 1-[4-(4-methylcyclohexyl)phenyl]cyclopentan-1-amine is CC1CCC(c2ccc(C3(N)CCCC3)cc2)CC1.
What is the InChIKey of 1-[4-(4-methylcyclohexyl)phenyl]cyclopentan-1-amine?
The InChIKey is PVCIYVUKKFNACI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N/c1-14-4-6-15(7-5-14)16-8-10-17(11-9-16)18(19)12-2-3-13-18/h8-11,14-15H,2-7,12-13,19H2,1H3.
What are the key properties of 1-[4-(4-methylcyclohexyl)phenyl]cyclopentan-1-amine?
1-[4-(4-methylcyclohexyl)phenyl]cyclopentan-1-amine has a molecular weight of 257.42 g/mol, XLogP of 4.71, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-methylcyclohexyl)phenyl]cyclopentan-1-amine is sourced from PubChem (CID 117397303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).