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

C17H24ClN — CID 79861143

IUPACN-[3-(4-chlorophenyl)cyclobutyl]-2,2-dimethylcyclopentan-1-amine
SMILESCC1(C)CCCC1NC1CC(c2ccc(Cl)cc2)C1
InChIInChI=1S/C17H24ClN/c1-17(2)9-3-4-16(17)19-15-10-13(11-15)12-5-7-14(18)8-6-12/h5-8,13,15-16,19H,3-4,9-11H2,1-2H3
InChIKeySXARWUSYEVDNBL-UHFFFAOYSA-N
MW277.84 g/mol
LogP4.75
Rot. Bonds3

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

N-[3-(4-chlorophenyl)cyclobutyl]-2,2-dimethylcyclopentan-1-amine (PubChem CID 79861143) has the molecular formula C17H24ClN and a molecular weight of 277.84 g/mol. Its IUPAC name is N-[3-(4-chlorophenyl)cyclobutyl]-2,2-dimethylcyclopentan-1-amine.

Molecular Properties

Compound NameN-[3-(4-chlorophenyl)cyclobutyl]-2,2-dimethylcyclopentan-1-amine
PubChem CID79861143
Molecular FormulaC17H24ClN
Molecular Weight277.84 g/mol
Exact Mass277.16
IUPAC NameN-[3-(4-chlorophenyl)cyclobutyl]-2,2-dimethylcyclopentan-1-amine
SMILESCC1(C)CCCC1NC1CC(c2ccc(Cl)cc2)C1
InChIInChI=1S/C17H24ClN/c1-17(2)9-3-4-16(17)19-15-10-13(11-15)12-5-7-14(18)8-6-12/h5-8,13,15-16,19H,3-4,9-11H2,1-2H3
InChIKeySXARWUSYEVDNBL-UHFFFAOYSA-N
XLogP4.75
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.84
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-[(2,2-dimethylcyclopentyl)amino]cyclobutan-1-ol
CID 79856418
4-N-[3-(4-chlorophenyl)cyclobutyl]cyclohexane-1,4-diamine
CID 62318692
2-[[3-(4-chlorophenyl)cyclobutyl]amino]cyclohexan-1-ol
CID 62358659
N-(2,2-dimethylcyclopentyl)-4,4-dimethylcyclohexan-1-amine
CID 79856410
4-chloro-N-(2,2-dimethylcyclopentyl)-2-methylaniline
CID 79864654
3-(4-chlorophenyl)-N-(1-cyclobutylethyl)cyclobutan-1-amine
CID 104530462
N-cyclopropyl-2,2-dimethylcyclohexan-1-amine
CID 79828410
5-(4-chlorophenyl)-2,2-dimethylcyclohexan-1-ol
CID 23373017
N-[3-(4-chlorophenyl)cyclobutyl]-2,6-dimethylpiperidin-1-amine
CID 83007014
1-[[[3-(4-chlorophenyl)cyclobutyl]amino]methyl]cyclopentan-1-ol
CID 65107309
N-[(1S)-1-(4-chlorophenyl)ethyl]-2,2-dimethylcyclohexan-1-amine
CID 81352952
N-[3-(4-chlorophenyl)cyclobutyl]-7-oxabicyclo[2.2.1]heptan-2-amine
CID 80715069

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-chlorophenyl)cyclobutyl]-2,2-dimethylcyclopentan-1-amine?
The IUPAC name of N-[3-(4-chlorophenyl)cyclobutyl]-2,2-dimethylcyclopentan-1-amine (CID 79861143) is N-[3-(4-chlorophenyl)cyclobutyl]-2,2-dimethylcyclopentan-1-amine.
What is the SMILES notation for N-[3-(4-chlorophenyl)cyclobutyl]-2,2-dimethylcyclopentan-1-amine?
The canonical SMILES for N-[3-(4-chlorophenyl)cyclobutyl]-2,2-dimethylcyclopentan-1-amine is CC1(C)CCCC1NC1CC(c2ccc(Cl)cc2)C1.
What is the InChIKey of N-[3-(4-chlorophenyl)cyclobutyl]-2,2-dimethylcyclopentan-1-amine?
The InChIKey is SXARWUSYEVDNBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClN/c1-17(2)9-3-4-16(17)19-15-10-13(11-15)12-5-7-14(18)8-6-12/h5-8,13,15-16,19H,3-4,9-11H2,1-2H3.
What are the key properties of N-[3-(4-chlorophenyl)cyclobutyl]-2,2-dimethylcyclopentan-1-amine?
N-[3-(4-chlorophenyl)cyclobutyl]-2,2-dimethylcyclopentan-1-amine has a molecular weight of 277.84 g/mol, XLogP of 4.75, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-chlorophenyl)cyclobutyl]-2,2-dimethylcyclopentan-1-amine is sourced from PubChem (CID 79861143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).