4-(2-aminocyclopentyl)benzonitrile

C12H14N2 — CID 69112684

IUPAC4-(2-aminocyclopentyl)benzonitrile
SMILESN#Cc1ccc(C2CCCC2N)cc1
InChIInChI=1S/C12H14N2/c13-8-9-4-6-10(7-5-9)11-2-1-3-12(11)14/h4-7,11-12H,1-3,14H2
InChIKeyUJGJNQWXHIBQGX-UHFFFAOYSA-N
MW186.26 g/mol
LogP2.15
Rot. Bonds1

About 4-(2-aminocyclopentyl)benzonitrile

4-(2-aminocyclopentyl)benzonitrile (PubChem CID 69112684) has the molecular formula C12H14N2 and a molecular weight of 186.26 g/mol. Its IUPAC name is 4-(2-aminocyclopentyl)benzonitrile.

Molecular Properties

Compound Name4-(2-aminocyclopentyl)benzonitrile
PubChem CID69112684
Molecular FormulaC12H14N2
Molecular Weight186.26 g/mol
Exact Mass186.12
IUPAC Name4-(2-aminocyclopentyl)benzonitrile
SMILESN#Cc1ccc(C2CCCC2N)cc1
InChIInChI=1S/C12H14N2/c13-8-9-4-6-10(7-5-9)11-2-1-3-12(11)14/h4-7,11-12H,1-3,14H2
InChIKeyUJGJNQWXHIBQGX-UHFFFAOYSA-N
XLogP2.15
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.26
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[4-(2-aminocyclopentyl)phenyl]benzonitrile
CID 69112962
3-[(1R,2R)-2-aminocyclopentyl]benzonitrile
CID 130943914
(1R)-2-(4-fluorophenyl)cyclopentan-1-amine
CID 70223067
4-[4-[(3R,4R)-4-aminopiperidin-3-yl]phenyl]benzonitrile
CID 68720961
2-(4-chlorophenyl)cyclopentan-1-amine;hydrochloride
CID 21319672
4-[4-(2-aminocyclopropyl)phenoxy]benzonitrile
CID 70814754
4-(3-amino-1-tert-butylpiperidin-4-yl)benzonitrile
CID 129188123
2-(4-nitrophenyl)cyclohexan-1-amine
CID 82242146
trans-(1S,2R)-2-phenylcyclohexan-1-amine;hydrochloride
CID 21128019
trans-(1R,2S)-2-(4-propan-2-yloxyphenyl)cyclopentan-1-amine
CID 94605675
2-(4-ethoxyphenyl)cyclohexan-1-amine
CID 62800786
2-[4-(4-methoxyphenyl)phenyl]cyclopentan-1-amine
CID 69111845

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminocyclopentyl)benzonitrile?
The IUPAC name of 4-(2-aminocyclopentyl)benzonitrile (CID 69112684) is 4-(2-aminocyclopentyl)benzonitrile.
What is the SMILES notation for 4-(2-aminocyclopentyl)benzonitrile?
The canonical SMILES for 4-(2-aminocyclopentyl)benzonitrile is N#Cc1ccc(C2CCCC2N)cc1.
What is the InChIKey of 4-(2-aminocyclopentyl)benzonitrile?
The InChIKey is UJGJNQWXHIBQGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2/c13-8-9-4-6-10(7-5-9)11-2-1-3-12(11)14/h4-7,11-12H,1-3,14H2.
What are the key properties of 4-(2-aminocyclopentyl)benzonitrile?
4-(2-aminocyclopentyl)benzonitrile has a molecular weight of 186.26 g/mol, XLogP of 2.15, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminocyclopentyl)benzonitrile is sourced from PubChem (CID 69112684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).