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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Related Compounds

1-[1-(4-chlorophenyl)cyclobutyl]-N,N-dimethyl-4-propan-2-yloxybutan-1-amine
CID 19823690
1-[1-(4-chlorophenyl)cyclobutyl]-N,N,3-trimethylbutan-1-amine;chloride;hydrate
CID 45114241
bromic acid;1-[1-(4-chlorophenyl)cyclobutyl]-N,N,3-trimethylbutan-1-amine
CID 11697183
1-[1-(4-chlorophenyl)cyclobutyl]butan-1-amine
CID 13083249
1-[1-(4-chlorophenyl)cyclobutyl]-N,N,3-trimethylbutan-1-amine;2,3-dihydroxybutanedioic acid
CID 25174320
1-[1-(4-chlorophenyl)cyclobutyl]-1-(dimethylamino)-2-methylbutan-2-ol;hydrochloride
CID 19823714
1-chloro-4-[1-(2-methyldecan-4-yl)cyclobutyl]benzene
CID 90899911
1-[1-(4-bromophenyl)cyclobutyl]-4-methoxy-N,N-dimethylbutan-1-amine
CID 19823609
(Z)-but-2-enedioic acid;1-[1-(4-chlorophenyl)cyclobutyl]-1-(dimethylamino)-3-ethylpentan-3-ol
CID 67945554
(Z)-but-2-enedioic acid;(E)-but-2-enedioic acid;bis(1-[1-(4-chlorophenyl)cyclobutyl]-N,N,3-trimethylbutan-1-amine)
CID 68752103
8-[1-(3,4-dichlorophenyl)cyclobutyl]-8-(dimethylamino)octan-2-ol
CID 19823631
1-[1-(4-chlorophenyl)cyclobutyl]-1-(dimethylamino)propan-2-one
CID 19823745

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).