1-(3-cycloheptylphenyl)cyclopentan-1-amine

C18H27N — CID 117397299

IUPAC1-(3-cycloheptylphenyl)cyclopentan-1-amine
SMILESNC1(c2cccc(C3CCCCCC3)c2)CCCC1
InChIInChI=1S/C18H27N/c19-18(12-5-6-13-18)17-11-7-10-16(14-17)15-8-3-1-2-4-9-15/h7,10-11,14-15H,1-6,8-9,12-13,19H2
InChIKeySRZZUPQBMMXIAL-UHFFFAOYSA-N
MW257.42 g/mol
LogP4.85
Rot. Bonds2

About 1-(3-cycloheptylphenyl)cyclopentan-1-amine

1-(3-cycloheptylphenyl)cyclopentan-1-amine (PubChem CID 117397299) has the molecular formula C18H27N and a molecular weight of 257.42 g/mol. Its IUPAC name is 1-(3-cycloheptylphenyl)cyclopentan-1-amine.

Molecular Properties

Compound Name1-(3-cycloheptylphenyl)cyclopentan-1-amine
PubChem CID117397299
Molecular FormulaC18H27N
Molecular Weight257.42 g/mol
Exact Mass257.21
IUPAC Name1-(3-cycloheptylphenyl)cyclopentan-1-amine
SMILESNC1(c2cccc(C3CCCCCC3)c2)CCCC1
InChIInChI=1S/C18H27N/c19-18(12-5-6-13-18)17-11-7-10-16(14-17)15-8-3-1-2-4-9-15/h7,10-11,14-15H,1-6,8-9,12-13,19H2
InChIKeySRZZUPQBMMXIAL-UHFFFAOYSA-N
XLogP4.85
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 ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-[3-(4-methylcyclohexyl)phenyl]cyclopentan-1-amine
CID 117397302
1-[3-(thietan-3-yl)phenyl]cyclohexan-1-amine
CID 117372202
1-(3-piperidin-4-ylphenyl)cyclobutan-1-amine
CID 117333021
1-(4-cyclopentylphenyl)cyclohexan-1-amine
CID 117360957
1-[3-(oxetan-3-yl)phenyl]cyclopropan-1-amine
CID 84771178
1,3-dicyclohexylbenzene;hydrogen peroxide
CID 88772360
1-(3-cycloheptylphenyl)cyclopropane-1-carboxylic acid
CID 117399711
1-[(3-cyclohexylphenyl)methyl]cyclopropan-1-amine
CID 117331180
[1-(3-cyclobutylphenyl)cyclobutyl]methanamine
CID 117307162
3-cycloheptylaniline
CID 22019641
3-(1-aminocyclopentyl)aniline
CID 117047301
[3-(1-isocyanatocyclobutyl)phenyl]cycloheptane
CID 117426969

Frequently Asked Questions

What is the IUPAC name of 1-(3-cycloheptylphenyl)cyclopentan-1-amine?
The IUPAC name of 1-(3-cycloheptylphenyl)cyclopentan-1-amine (CID 117397299) is 1-(3-cycloheptylphenyl)cyclopentan-1-amine.
What is the SMILES notation for 1-(3-cycloheptylphenyl)cyclopentan-1-amine?
The canonical SMILES for 1-(3-cycloheptylphenyl)cyclopentan-1-amine is NC1(c2cccc(C3CCCCCC3)c2)CCCC1.
What is the InChIKey of 1-(3-cycloheptylphenyl)cyclopentan-1-amine?
The InChIKey is SRZZUPQBMMXIAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N/c19-18(12-5-6-13-18)17-11-7-10-16(14-17)15-8-3-1-2-4-9-15/h7,10-11,14-15H,1-6,8-9,12-13,19H2.
What are the key properties of 1-(3-cycloheptylphenyl)cyclopentan-1-amine?
1-(3-cycloheptylphenyl)cyclopentan-1-amine has a molecular weight of 257.42 g/mol, XLogP of 4.85, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cycloheptylphenyl)cyclopentan-1-amine is sourced from PubChem (CID 117397299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).