4-[(2R)-2-amino-3-pyrrolidin-1-ylpropyl]benzonitrile

C14H19N3 — CID 129196836

IUPAC4-[(2R)-2-amino-3-pyrrolidin-1-ylpropyl]benzonitrile
SMILESN#Cc1ccc(C[C@@H](N)CN2CCCC2)cc1
InChIInChI=1S/C14H19N3/c15-10-13-5-3-12(4-6-13)9-14(16)11-17-7-1-2-8-17/h3-6,14H,1-2,7-9,11,16H2/t14-/m1/s1
InChIKeyJALMRCANRWZDQY-CQSZACIVSA-N
MW229.33 g/mol
LogP1.52
Rot. Bonds4

About 4-[(2R)-2-amino-3-pyrrolidin-1-ylpropyl]benzonitrile

4-[(2R)-2-amino-3-pyrrolidin-1-ylpropyl]benzonitrile (PubChem CID 129196836) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is 4-[(2R)-2-amino-3-pyrrolidin-1-ylpropyl]benzonitrile.

Molecular Properties

Compound Name4-[(2R)-2-amino-3-pyrrolidin-1-ylpropyl]benzonitrile
PubChem CID129196836
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC Name4-[(2R)-2-amino-3-pyrrolidin-1-ylpropyl]benzonitrile
SMILESN#Cc1ccc(C[C@@H](N)CN2CCCC2)cc1
InChIInChI=1S/C14H19N3/c15-10-13-5-3-12(4-6-13)9-14(16)11-17-7-1-2-8-17/h3-6,14H,1-2,7-9,11,16H2/t14-/m1/s1
InChIKeyJALMRCANRWZDQY-CQSZACIVSA-N
XLogP1.52
TPSA53.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2R)-2-amino-3-morpholin-4-ylpropyl]benzonitrile;dihydrochloride
CID 139301134
1-(4-methylphenyl)-3-piperidin-1-ylpropan-2-amine
CID 82289895
1-(azepan-1-yl)-3-(4-tert-butylphenyl)propan-2-amine;dihydrochloride
CID 10155485
(2S)-1-[4-(4-fluorobutoxy)phenyl]-3-pyrrolidin-1-ylpropan-2-amine
CID 70228716
4-(2-amino-3-oxo-3-pyrrolidin-1-ylpropyl)benzonitrile;hydrochloride
CID 19703184
4-[[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]methyl]benzonitrile
CID 60957478
4-(2-aminohexyl)benzonitrile
CID 174547393
1-(3-bromophenyl)-3-pyrrolidin-1-ylpropan-2-amine
CID 82307455
4-(2-aminobut-3-enyl)benzonitrile
CID 138478267
4-[(2-piperidin-1-ylethylamino)methyl]benzonitrile
CID 60697219
4-[[4-[(2R)-2-hydroxy-3-(2-hydroxyethoxy)propyl]-1,4-diazepan-1-yl]methyl]benzonitrile
CID 98788018
4-[[(3S)-3-aminopiperidin-1-yl]methyl]benzonitrile
CID 24904949

Frequently Asked Questions

What is the IUPAC name of 4-[(2R)-2-amino-3-pyrrolidin-1-ylpropyl]benzonitrile?
The IUPAC name of 4-[(2R)-2-amino-3-pyrrolidin-1-ylpropyl]benzonitrile (CID 129196836) is 4-[(2R)-2-amino-3-pyrrolidin-1-ylpropyl]benzonitrile.
What is the SMILES notation for 4-[(2R)-2-amino-3-pyrrolidin-1-ylpropyl]benzonitrile?
The canonical SMILES for 4-[(2R)-2-amino-3-pyrrolidin-1-ylpropyl]benzonitrile is N#Cc1ccc(C[C@@H](N)CN2CCCC2)cc1.
What is the InChIKey of 4-[(2R)-2-amino-3-pyrrolidin-1-ylpropyl]benzonitrile?
The InChIKey is JALMRCANRWZDQY-CQSZACIVSA-N. The full InChI is InChI=1S/C14H19N3/c15-10-13-5-3-12(4-6-13)9-14(16)11-17-7-1-2-8-17/h3-6,14H,1-2,7-9,11,16H2/t14-/m1/s1.
What are the key properties of 4-[(2R)-2-amino-3-pyrrolidin-1-ylpropyl]benzonitrile?
4-[(2R)-2-amino-3-pyrrolidin-1-ylpropyl]benzonitrile has a molecular weight of 229.33 g/mol, XLogP of 1.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2R)-2-amino-3-pyrrolidin-1-ylpropyl]benzonitrile is sourced from PubChem (CID 129196836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).