2-[[3-(4-methoxyphenyl)cyclobutyl]amino]cyclopentane-1-carbonitrile

C17H22N2O — CID 62962017

IUPAC2-[[3-(4-methoxyphenyl)cyclobutyl]amino]cyclopentane-1-carbonitrile
SMILESCOc1ccc(C2CC(NC3CCCC3C#N)C2)cc1
InChIInChI=1S/C17H22N2O/c1-20-16-7-5-12(6-8-16)14-9-15(10-14)19-17-4-2-3-13(17)11-18/h5-8,13-15,17,19H,2-4,9-10H2,1H3
InChIKeyFRSHHISBNSQWFV-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.22
Rot. Bonds4

About 2-[[3-(4-methoxyphenyl)cyclobutyl]amino]cyclopentane-1-carbonitrile

2-[[3-(4-methoxyphenyl)cyclobutyl]amino]cyclopentane-1-carbonitrile (PubChem CID 62962017) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is 2-[[3-(4-methoxyphenyl)cyclobutyl]amino]cyclopentane-1-carbonitrile.

Molecular Properties

Compound Name2-[[3-(4-methoxyphenyl)cyclobutyl]amino]cyclopentane-1-carbonitrile
PubChem CID62962017
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name2-[[3-(4-methoxyphenyl)cyclobutyl]amino]cyclopentane-1-carbonitrile
SMILESCOc1ccc(C2CC(NC3CCCC3C#N)C2)cc1
InChIInChI=1S/C17H22N2O/c1-20-16-7-5-12(6-8-16)14-9-15(10-14)19-17-4-2-3-13(17)11-18/h5-8,13-15,17,19H,2-4,9-10H2,1H3
InChIKeyFRSHHISBNSQWFV-UHFFFAOYSA-N
XLogP3.22
TPSA45.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(4-methoxyphenyl)cyclobutyl]cyclooctanamine
CID 43633186
2-[[3-(3-fluorophenyl)cyclobutyl]amino]cyclopentane-1-carbonitrile
CID 55153111
2-(4-methoxyanilino)cycloheptane-1-carbonitrile
CID 55114320
N-(2-ethylcyclopropyl)-3-(4-methoxyphenyl)cyclobutan-1-amine
CID 114107711
2-(4-methoxyphenyl)cycloheptane-1-carbonitrile
CID 82242717
2-(cyclopentylamino)cyclopentane-1-carbonitrile
CID 62742199
3-[[3-(4-methoxyphenyl)cyclobutyl]amino]piperidin-2-one
CID 62092299
N-[3-(3-methoxyphenyl)cyclobutyl]-2-methylcyclopentan-1-amine
CID 63278373
2-(4-methoxyphenyl)cyclobutane-1-carbonitrile
CID 172635786
2-[(3-propan-2-ylcyclohexyl)amino]cyclopentane-1-carbonitrile
CID 103917447
N-[(1R)-1-cyclopentylethyl]-3-(4-methoxyphenyl)cyclobutan-1-amine
CID 81395845
N-[3-(4-methoxyphenyl)cyclobutyl]-1,1-dioxothiolan-3-amine
CID 43632787

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(4-methoxyphenyl)cyclobutyl]amino]cyclopentane-1-carbonitrile?
The IUPAC name of 2-[[3-(4-methoxyphenyl)cyclobutyl]amino]cyclopentane-1-carbonitrile (CID 62962017) is 2-[[3-(4-methoxyphenyl)cyclobutyl]amino]cyclopentane-1-carbonitrile.
What is the SMILES notation for 2-[[3-(4-methoxyphenyl)cyclobutyl]amino]cyclopentane-1-carbonitrile?
The canonical SMILES for 2-[[3-(4-methoxyphenyl)cyclobutyl]amino]cyclopentane-1-carbonitrile is COc1ccc(C2CC(NC3CCCC3C#N)C2)cc1.
What is the InChIKey of 2-[[3-(4-methoxyphenyl)cyclobutyl]amino]cyclopentane-1-carbonitrile?
The InChIKey is FRSHHISBNSQWFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-20-16-7-5-12(6-8-16)14-9-15(10-14)19-17-4-2-3-13(17)11-18/h5-8,13-15,17,19H,2-4,9-10H2,1H3.
What are the key properties of 2-[[3-(4-methoxyphenyl)cyclobutyl]amino]cyclopentane-1-carbonitrile?
2-[[3-(4-methoxyphenyl)cyclobutyl]amino]cyclopentane-1-carbonitrile has a molecular weight of 270.38 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(4-methoxyphenyl)cyclobutyl]amino]cyclopentane-1-carbonitrile is sourced from PubChem (CID 62962017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).