3-[propan-2-yl(2-pyridin-2-ylethyl)amino]propanenitrile

C13H19N3 — CID 55207213

IUPAC3-[propan-2-yl(2-pyridin-2-ylethyl)amino]propanenitrile
SMILESCC(C)N(CCC#N)CCc1ccccn1
InChIInChI=1S/C13H19N3/c1-12(2)16(10-5-8-14)11-7-13-6-3-4-9-15-13/h3-4,6,9,12H,5,7,10-11H2,1-2H3
InChIKeyZTYRYLWFKRBDES-UHFFFAOYSA-N
MW217.32 g/mol
LogP2.25
Rot. Bonds6

About 3-[propan-2-yl(2-pyridin-2-ylethyl)amino]propanenitrile

3-[propan-2-yl(2-pyridin-2-ylethyl)amino]propanenitrile (PubChem CID 55207213) has the molecular formula C13H19N3 and a molecular weight of 217.32 g/mol. Its IUPAC name is 3-[propan-2-yl(2-pyridin-2-ylethyl)amino]propanenitrile.

Molecular Properties

Compound Name3-[propan-2-yl(2-pyridin-2-ylethyl)amino]propanenitrile
PubChem CID55207213
Molecular FormulaC13H19N3
Molecular Weight217.32 g/mol
Exact Mass217.16
IUPAC Name3-[propan-2-yl(2-pyridin-2-ylethyl)amino]propanenitrile
SMILESCC(C)N(CCC#N)CCc1ccccn1
InChIInChI=1S/C13H19N3/c1-12(2)16(10-5-8-14)11-7-13-6-3-4-9-15-13/h3-4,6,9,12H,5,7,10-11H2,1-2H3
InChIKeyZTYRYLWFKRBDES-UHFFFAOYSA-N
XLogP2.25
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.32
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-[propan-2-yl(2-pyridin-2-ylethyl)amino]propanenitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-cyano-N-methyl-N-(2-pyridin-2-ylethyl)methanesulfonamide
CID 60677937
ethane;N-methyl-N-(2-pyridin-2-ylethyl)propan-2-amine
CID 142585406
3-[(4-amino-2-pyridinyl)methyl-propan-2-ylamino]propanenitrile
CID 79245797
3-[[2-(ethylamino)-3-pyridinyl]methyl-propan-2-ylamino]propanenitrile
CID 62465917
3-[(6-methoxy-2-pyridinyl)methyl-propan-2-ylamino]propanenitrile
CID 63986878
3-[(2-amino-1-pyridin-2-ylethyl)-(2-methoxyethyl)amino]propanenitrile
CID 63284752
2-amino-2-methyl-4-[methyl(2-pyridin-2-ylethyl)amino]pentanenitrile
CID 64696510
2-[1-[[methyl(2-pyridin-2-ylethyl)amino]methyl]cyclopropyl]acetonitrile
CID 65494657
N-methyl-2-pyridin-2-yl-N-trimethylsilylethanamine
CID 91709658
N-(4-cyanobutyl)-2-pyridin-2-ylethanesulfonamide
CID 63296937
2-[benzyl(2-pyridin-2-ylethyl)amino]-3-methylbutan-1-ol
CID 111462145
N-(1-cyanopropan-2-yl)-2-pyridin-2-ylethanesulfonamide
CID 62093173

Frequently Asked Questions

What is the IUPAC name of 3-[propan-2-yl(2-pyridin-2-ylethyl)amino]propanenitrile?
The IUPAC name of 3-[propan-2-yl(2-pyridin-2-ylethyl)amino]propanenitrile (CID 55207213) is 3-[propan-2-yl(2-pyridin-2-ylethyl)amino]propanenitrile.
What is the SMILES notation for 3-[propan-2-yl(2-pyridin-2-ylethyl)amino]propanenitrile?
The canonical SMILES for 3-[propan-2-yl(2-pyridin-2-ylethyl)amino]propanenitrile is CC(C)N(CCC#N)CCc1ccccn1.
What is the InChIKey of 3-[propan-2-yl(2-pyridin-2-ylethyl)amino]propanenitrile?
The InChIKey is ZTYRYLWFKRBDES-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3/c1-12(2)16(10-5-8-14)11-7-13-6-3-4-9-15-13/h3-4,6,9,12H,5,7,10-11H2,1-2H3.
What are the key properties of 3-[propan-2-yl(2-pyridin-2-ylethyl)amino]propanenitrile?
3-[propan-2-yl(2-pyridin-2-ylethyl)amino]propanenitrile has a molecular weight of 217.32 g/mol, XLogP of 2.25, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[propan-2-yl(2-pyridin-2-ylethyl)amino]propanenitrile is sourced from PubChem (CID 55207213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).