1-[1-(4-chlorophenyl)cyclobutyl]-N,N-dimethylpentan-1-amine

C17H26ClN — CID 56621938

IUPAC1-[1-(4-chlorophenyl)cyclobutyl]-N,N-dimethylpentan-1-amine
SMILESCCCCC(N(C)C)C1(c2ccc(Cl)cc2)CCC1
InChIInChI=1S/C17H26ClN/c1-4-5-7-16(19(2)3)17(12-6-13-17)14-8-10-15(18)11-9-14/h8-11,16H,4-7,12-13H2,1-3H3
InChIKeyZRQNZTCORFVCOG-UHFFFAOYSA-N
MW279.86 g/mol
LogP4.88
Rot. Bonds6

About 1-[1-(4-chlorophenyl)cyclobutyl]-N,N-dimethylpentan-1-amine

1-[1-(4-chlorophenyl)cyclobutyl]-N,N-dimethylpentan-1-amine (PubChem CID 56621938) has the molecular formula C17H26ClN and a molecular weight of 279.86 g/mol. Its IUPAC name is 1-[1-(4-chlorophenyl)cyclobutyl]-N,N-dimethylpentan-1-amine.

Molecular Properties

Compound Name1-[1-(4-chlorophenyl)cyclobutyl]-N,N-dimethylpentan-1-amine
PubChem CID56621938
Molecular FormulaC17H26ClN
Molecular Weight279.86 g/mol
Exact Mass279.18
IUPAC Name1-[1-(4-chlorophenyl)cyclobutyl]-N,N-dimethylpentan-1-amine
SMILESCCCCC(N(C)C)C1(c2ccc(Cl)cc2)CCC1
InChIInChI=1S/C17H26ClN/c1-4-5-7-16(19(2)3)17(12-6-13-17)14-8-10-15(18)11-9-14/h8-11,16H,4-7,12-13H2,1-3H3
InChIKeyZRQNZTCORFVCOG-UHFFFAOYSA-N
XLogP4.88
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.86
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-chlorophenyl)cyclobutyl]-N,N-dimethylpentan-1-amine?
The IUPAC name of 1-[1-(4-chlorophenyl)cyclobutyl]-N,N-dimethylpentan-1-amine (CID 56621938) is 1-[1-(4-chlorophenyl)cyclobutyl]-N,N-dimethylpentan-1-amine.
What is the SMILES notation for 1-[1-(4-chlorophenyl)cyclobutyl]-N,N-dimethylpentan-1-amine?
The canonical SMILES for 1-[1-(4-chlorophenyl)cyclobutyl]-N,N-dimethylpentan-1-amine is CCCCC(N(C)C)C1(c2ccc(Cl)cc2)CCC1.
What is the InChIKey of 1-[1-(4-chlorophenyl)cyclobutyl]-N,N-dimethylpentan-1-amine?
The InChIKey is ZRQNZTCORFVCOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26ClN/c1-4-5-7-16(19(2)3)17(12-6-13-17)14-8-10-15(18)11-9-14/h8-11,16H,4-7,12-13H2,1-3H3.
What are the key properties of 1-[1-(4-chlorophenyl)cyclobutyl]-N,N-dimethylpentan-1-amine?
1-[1-(4-chlorophenyl)cyclobutyl]-N,N-dimethylpentan-1-amine has a molecular weight of 279.86 g/mol, XLogP of 4.88, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-chlorophenyl)cyclobutyl]-N,N-dimethylpentan-1-amine is sourced from PubChem (CID 56621938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).