4-[4-(2-aminocyclopentyl)phenyl]benzonitrile

C18H18N2 — CID 69112962

IUPAC4-[4-(2-aminocyclopentyl)phenyl]benzonitrile
SMILESN#Cc1ccc(-c2ccc(C3CCCC3N)cc2)cc1
InChIInChI=1S/C18H18N2/c19-12-13-4-6-14(7-5-13)15-8-10-16(11-9-15)17-2-1-3-18(17)20/h4-11,17-18H,1-3,20H2
InChIKeyNAJPFMWWIPKCKR-UHFFFAOYSA-N
MW262.36 g/mol
LogP3.82
Rot. Bonds2

About 4-[4-(2-aminocyclopentyl)phenyl]benzonitrile

4-[4-(2-aminocyclopentyl)phenyl]benzonitrile (PubChem CID 69112962) has the molecular formula C18H18N2 and a molecular weight of 262.36 g/mol. Its IUPAC name is 4-[4-(2-aminocyclopentyl)phenyl]benzonitrile.

Molecular Properties

Compound Name4-[4-(2-aminocyclopentyl)phenyl]benzonitrile
PubChem CID69112962
Molecular FormulaC18H18N2
Molecular Weight262.36 g/mol
Exact Mass262.15
IUPAC Name4-[4-(2-aminocyclopentyl)phenyl]benzonitrile
SMILESN#Cc1ccc(-c2ccc(C3CCCC3N)cc2)cc1
InChIInChI=1S/C18H18N2/c19-12-13-4-6-14(7-5-13)15-8-10-16(11-9-15)17-2-1-3-18(17)20/h4-11,17-18H,1-3,20H2
InChIKeyNAJPFMWWIPKCKR-UHFFFAOYSA-N
XLogP3.82
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-aminocyclopentyl)phenyl]benzonitrile?
The IUPAC name of 4-[4-(2-aminocyclopentyl)phenyl]benzonitrile (CID 69112962) is 4-[4-(2-aminocyclopentyl)phenyl]benzonitrile.
What is the SMILES notation for 4-[4-(2-aminocyclopentyl)phenyl]benzonitrile?
The canonical SMILES for 4-[4-(2-aminocyclopentyl)phenyl]benzonitrile is N#Cc1ccc(-c2ccc(C3CCCC3N)cc2)cc1.
What is the InChIKey of 4-[4-(2-aminocyclopentyl)phenyl]benzonitrile?
The InChIKey is NAJPFMWWIPKCKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2/c19-12-13-4-6-14(7-5-13)15-8-10-16(11-9-15)17-2-1-3-18(17)20/h4-11,17-18H,1-3,20H2.
What are the key properties of 4-[4-(2-aminocyclopentyl)phenyl]benzonitrile?
4-[4-(2-aminocyclopentyl)phenyl]benzonitrile has a molecular weight of 262.36 g/mol, XLogP of 3.82, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-aminocyclopentyl)phenyl]benzonitrile is sourced from PubChem (CID 69112962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).