N-[1-(4-chlorophenyl)butyl]-2,3-dimethylcyclopentan-1-amine

C17H26ClN — CID 64909731

IUPACN-[1-(4-chlorophenyl)butyl]-2,3-dimethylcyclopentan-1-amine
SMILESCCCC(NC1CCC(C)C1C)c1ccc(Cl)cc1
InChIInChI=1S/C17H26ClN/c1-4-5-17(14-7-9-15(18)10-8-14)19-16-11-6-12(2)13(16)3/h7-10,12-13,16-17,19H,4-6,11H2,1-3H3
InChIKeyXNOYNQJVIQXGQM-UHFFFAOYSA-N
MW279.86 g/mol
LogP5.21
Rot. Bonds5

About N-[1-(4-chlorophenyl)butyl]-2,3-dimethylcyclopentan-1-amine

N-[1-(4-chlorophenyl)butyl]-2,3-dimethylcyclopentan-1-amine (PubChem CID 64909731) has the molecular formula C17H26ClN and a molecular weight of 279.86 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)butyl]-2,3-dimethylcyclopentan-1-amine.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)butyl]-2,3-dimethylcyclopentan-1-amine
PubChem CID64909731
Molecular FormulaC17H26ClN
Molecular Weight279.86 g/mol
Exact Mass279.18
IUPAC NameN-[1-(4-chlorophenyl)butyl]-2,3-dimethylcyclopentan-1-amine
SMILESCCCC(NC1CCC(C)C1C)c1ccc(Cl)cc1
InChIInChI=1S/C17H26ClN/c1-4-5-17(14-7-9-15(18)10-8-14)19-16-11-6-12(2)13(16)3/h7-10,12-13,16-17,19H,4-6,11H2,1-3H3
InChIKeyXNOYNQJVIQXGQM-UHFFFAOYSA-N
XLogP5.21
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500279.86
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)butyl]-2,3-dimethylcyclopentan-1-amine?
The IUPAC name of N-[1-(4-chlorophenyl)butyl]-2,3-dimethylcyclopentan-1-amine (CID 64909731) is N-[1-(4-chlorophenyl)butyl]-2,3-dimethylcyclopentan-1-amine.
What is the SMILES notation for N-[1-(4-chlorophenyl)butyl]-2,3-dimethylcyclopentan-1-amine?
The canonical SMILES for N-[1-(4-chlorophenyl)butyl]-2,3-dimethylcyclopentan-1-amine is CCCC(NC1CCC(C)C1C)c1ccc(Cl)cc1.
What is the InChIKey of N-[1-(4-chlorophenyl)butyl]-2,3-dimethylcyclopentan-1-amine?
The InChIKey is XNOYNQJVIQXGQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26ClN/c1-4-5-17(14-7-9-15(18)10-8-14)19-16-11-6-12(2)13(16)3/h7-10,12-13,16-17,19H,4-6,11H2,1-3H3.
What are the key properties of N-[1-(4-chlorophenyl)butyl]-2,3-dimethylcyclopentan-1-amine?
N-[1-(4-chlorophenyl)butyl]-2,3-dimethylcyclopentan-1-amine has a molecular weight of 279.86 g/mol, XLogP of 5.21, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)butyl]-2,3-dimethylcyclopentan-1-amine is sourced from PubChem (CID 64909731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).