2-(benzylamino)-2-pyrrolidin-3-ylpropanenitrile

C14H19N3 — CID 130856941

IUPAC2-(benzylamino)-2-pyrrolidin-3-ylpropanenitrile
SMILESCC(C#N)(NCc1ccccc1)C1CCNC1
InChIInChI=1S/C14H19N3/c1-14(11-15,13-7-8-16-10-13)17-9-12-5-3-2-4-6-12/h2-6,13,16-17H,7-10H2,1H3
InChIKeyMKILCGKWGORHNB-UHFFFAOYSA-N
MW229.33 g/mol
LogP1.67
Rot. Bonds4

About 2-(benzylamino)-2-pyrrolidin-3-ylpropanenitrile

2-(benzylamino)-2-pyrrolidin-3-ylpropanenitrile (PubChem CID 130856941) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is 2-(benzylamino)-2-pyrrolidin-3-ylpropanenitrile.

Molecular Properties

Compound Name2-(benzylamino)-2-pyrrolidin-3-ylpropanenitrile
PubChem CID130856941
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC Name2-(benzylamino)-2-pyrrolidin-3-ylpropanenitrile
SMILESCC(C#N)(NCc1ccccc1)C1CCNC1
InChIInChI=1S/C14H19N3/c1-14(11-15,13-7-8-16-10-13)17-9-12-5-3-2-4-6-12/h2-6,13,16-17H,7-10H2,1H3
InChIKeyMKILCGKWGORHNB-UHFFFAOYSA-N
XLogP1.67
TPSA47.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1,1-Dimethylethyl)benzenemethanamine
CID 76908
Amphetaminil
CID 28615
2-Phenylpyrrolidine
CID 261892
N-Butylbenzylamine
CID 75467
1-benzyl-N-methylpyrrolidin-3-amine
CID 13787478
(1-Benzylpyrrolidin-3-yl)methanamine
CID 3157467
N-Methyl-4-(pyrrolidin-1-ylmethyl)benzylamine
CID 18525869
Benzonitrile, 3-((propylamino)methyl)-
CID 457597
Benzonitrile, 3-((butylamino)methyl)-
CID 457598
3-(Benzylamino)propionitrile
CID 69719
1-Benzyl-4-(ethylamino)piperidine-4-carbonitrile
CID 70558
1-Benzyl-4-(methylamino)piperidine-4-carbonitrile
CID 70378

Frequently Asked Questions

What is the IUPAC name of 2-(benzylamino)-2-pyrrolidin-3-ylpropanenitrile?
The IUPAC name of 2-(benzylamino)-2-pyrrolidin-3-ylpropanenitrile (CID 130856941) is 2-(benzylamino)-2-pyrrolidin-3-ylpropanenitrile.
What is the SMILES notation for 2-(benzylamino)-2-pyrrolidin-3-ylpropanenitrile?
The canonical SMILES for 2-(benzylamino)-2-pyrrolidin-3-ylpropanenitrile is CC(C#N)(NCc1ccccc1)C1CCNC1.
What is the InChIKey of 2-(benzylamino)-2-pyrrolidin-3-ylpropanenitrile?
The InChIKey is MKILCGKWGORHNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3/c1-14(11-15,13-7-8-16-10-13)17-9-12-5-3-2-4-6-12/h2-6,13,16-17H,7-10H2,1H3.
What are the key properties of 2-(benzylamino)-2-pyrrolidin-3-ylpropanenitrile?
2-(benzylamino)-2-pyrrolidin-3-ylpropanenitrile has a molecular weight of 229.33 g/mol, XLogP of 1.67, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzylamino)-2-pyrrolidin-3-ylpropanenitrile is sourced from PubChem (CID 130856941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).