2-amino-3-(3-phenylpyrrolidin-1-yl)propanenitrile

C13H17N3 — CID 62131596

IUPAC2-amino-3-(3-phenylpyrrolidin-1-yl)propanenitrile
SMILESN#CC(N)CN1CCC(c2ccccc2)C1
InChIInChI=1S/C13H17N3/c14-8-13(15)10-16-7-6-12(9-16)11-4-2-1-3-5-11/h1-5,12-13H,6-7,9-10,15H2
InChIKeyJEJBVHSFIUQLCT-UHFFFAOYSA-N
MW215.30 g/mol
LogP1.33
Rot. Bonds3

About 2-amino-3-(3-phenylpyrrolidin-1-yl)propanenitrile

2-amino-3-(3-phenylpyrrolidin-1-yl)propanenitrile (PubChem CID 62131596) has the molecular formula C13H17N3 and a molecular weight of 215.30 g/mol. Its IUPAC name is 2-amino-3-(3-phenylpyrrolidin-1-yl)propanenitrile.

Molecular Properties

Compound Name2-amino-3-(3-phenylpyrrolidin-1-yl)propanenitrile
PubChem CID62131596
Molecular FormulaC13H17N3
Molecular Weight215.30 g/mol
Exact Mass215.14
IUPAC Name2-amino-3-(3-phenylpyrrolidin-1-yl)propanenitrile
SMILESN#CC(N)CN1CCC(c2ccccc2)C1
InChIInChI=1S/C13H17N3/c14-8-13(15)10-16-7-6-12(9-16)11-4-2-1-3-5-11/h1-5,12-13H,6-7,9-10,15H2
InChIKeyJEJBVHSFIUQLCT-UHFFFAOYSA-N
XLogP1.33
TPSA53.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-3-(3-phenylpyrrolidin-1-yl)propanenitrile
CID 62131750
1-[1-(azepan-1-yl)-2-(3-phenylpyrrolidin-1-yl)ethyl]azepane
CID 67642136
5-methoxy-1-(3-phenylpyrrolidin-1-yl)pentan-2-amine
CID 81102007
1-(2-chloroethyl)-3-phenylpyrrolidine
CID 62133780
4-[(2R)-2-hydroxy-3-[(3S)-3-phenylpyrrolidin-1-yl]propoxy]benzonitrile
CID 100851303
4-(3-phenylpyrrolidin-1-yl)-2-(propylamino)butanenitrile
CID 63028538
(2R)-1-[12-[(2S)-2-hydroxy-3-[(3R)-3-phenylpyrrolidin-1-yl]propyl]-3,12-diaza-6,9-diazoniadispiro[5.2.59.26]hexadecan-3-yl]-3-[(3S)-3-phenylpyrrolidin-1-yl]propan-2-ol
CID 124770147
N-ethyl-2-methyl-3-(3-phenylpyrrolidin-1-yl)propan-1-amine
CID 62412984
3,3,3-trifluoro-N'-hydroxy-2-[(3-phenylpyrrolidin-1-yl)methyl]propanimidamide
CID 103369390
2-amino-2-methyl-6-(3-phenylpyrrolidin-1-yl)hexanenitrile
CID 62132130
2-(ethylamino)-3-(3-phenylpyrrolidin-1-yl)propanamide
CID 62132324
(3R)-3-phenyl-1-prop-2-enylpyrrolidine
CID 1414729

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(3-phenylpyrrolidin-1-yl)propanenitrile?
The IUPAC name of 2-amino-3-(3-phenylpyrrolidin-1-yl)propanenitrile (CID 62131596) is 2-amino-3-(3-phenylpyrrolidin-1-yl)propanenitrile.
What is the SMILES notation for 2-amino-3-(3-phenylpyrrolidin-1-yl)propanenitrile?
The canonical SMILES for 2-amino-3-(3-phenylpyrrolidin-1-yl)propanenitrile is N#CC(N)CN1CCC(c2ccccc2)C1.
What is the InChIKey of 2-amino-3-(3-phenylpyrrolidin-1-yl)propanenitrile?
The InChIKey is JEJBVHSFIUQLCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3/c14-8-13(15)10-16-7-6-12(9-16)11-4-2-1-3-5-11/h1-5,12-13H,6-7,9-10,15H2.
What are the key properties of 2-amino-3-(3-phenylpyrrolidin-1-yl)propanenitrile?
2-amino-3-(3-phenylpyrrolidin-1-yl)propanenitrile has a molecular weight of 215.30 g/mol, XLogP of 1.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(3-phenylpyrrolidin-1-yl)propanenitrile is sourced from PubChem (CID 62131596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).