2-(4-cyclobutylphenyl)-N-propylcycloheptan-1-amine

C20H31N — CID 116506679

IUPAC2-(4-cyclobutylphenyl)-N-propylcycloheptan-1-amine
SMILESCCCNC1CCCCCC1c1ccc(C2CCC2)cc1
InChIInChI=1S/C20H31N/c1-2-15-21-20-10-5-3-4-9-19(20)18-13-11-17(12-14-18)16-7-6-8-16/h11-14,16,19-21H,2-10,15H2,1H3
InChIKeyZPZLTVPHOFDMNY-UHFFFAOYSA-N
MW285.48 g/mol
LogP5.37
Rot. Bonds5

About 2-(4-cyclobutylphenyl)-N-propylcycloheptan-1-amine

2-(4-cyclobutylphenyl)-N-propylcycloheptan-1-amine (PubChem CID 116506679) has the molecular formula C20H31N and a molecular weight of 285.48 g/mol. Its IUPAC name is 2-(4-cyclobutylphenyl)-N-propylcycloheptan-1-amine.

Molecular Properties

Compound Name2-(4-cyclobutylphenyl)-N-propylcycloheptan-1-amine
PubChem CID116506679
Molecular FormulaC20H31N
Molecular Weight285.48 g/mol
Exact Mass285.25
IUPAC Name2-(4-cyclobutylphenyl)-N-propylcycloheptan-1-amine
SMILESCCCNC1CCCCCC1c1ccc(C2CCC2)cc1
InChIInChI=1S/C20H31N/c1-2-15-21-20-10-5-3-4-9-19(20)18-13-11-17(12-14-18)16-7-6-8-16/h11-14,16,19-21H,2-10,15H2,1H3
InChIKeyZPZLTVPHOFDMNY-UHFFFAOYSA-N
XLogP5.37
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500285.48
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-phenyl-N-propylcyclohexan-1-amine
CID 43755016
2-(3-chloro-4-methylphenyl)-N-propylcycloheptan-1-amine
CID 107560907
2-(2-cyclobutylphenyl)-N-propylcyclopentan-1-amine
CID 114605846
N-[[2-(4-cyclobutylphenyl)cyclohexyl]methyl]propan-1-amine
CID 116507109
N-ethyl-2-(4-propylphenyl)cycloheptan-1-amine
CID 63511493
2-(1-methylpyrazol-3-yl)-N-propylcycloheptan-1-amine
CID 103131763
N-ethyl-2-(4-methylphenyl)cyclopentan-1-amine
CID 62604410
2-(2,3-dihydro-1-benzofuran-5-yl)-N-propylcyclohexan-1-amine
CID 104544128
N-ethyl-2-(4-propan-2-ylphenyl)cycloheptan-1-amine
CID 55194988
2-(2,3-dimethylphenyl)-N-propylcycloheptan-1-amine
CID 55195174
N-(3-ethoxypropyl)-2-phenylcyclohexan-1-amine
CID 43765298
2-[3-(2-methylpropyl)phenyl]-N-propylcyclohexan-1-amine
CID 116545566

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclobutylphenyl)-N-propylcycloheptan-1-amine?
The IUPAC name of 2-(4-cyclobutylphenyl)-N-propylcycloheptan-1-amine (CID 116506679) is 2-(4-cyclobutylphenyl)-N-propylcycloheptan-1-amine.
What is the SMILES notation for 2-(4-cyclobutylphenyl)-N-propylcycloheptan-1-amine?
The canonical SMILES for 2-(4-cyclobutylphenyl)-N-propylcycloheptan-1-amine is CCCNC1CCCCCC1c1ccc(C2CCC2)cc1.
What is the InChIKey of 2-(4-cyclobutylphenyl)-N-propylcycloheptan-1-amine?
The InChIKey is ZPZLTVPHOFDMNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N/c1-2-15-21-20-10-5-3-4-9-19(20)18-13-11-17(12-14-18)16-7-6-8-16/h11-14,16,19-21H,2-10,15H2,1H3.
What are the key properties of 2-(4-cyclobutylphenyl)-N-propylcycloheptan-1-amine?
2-(4-cyclobutylphenyl)-N-propylcycloheptan-1-amine has a molecular weight of 285.48 g/mol, XLogP of 5.37, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclobutylphenyl)-N-propylcycloheptan-1-amine is sourced from PubChem (CID 116506679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).