2-(aminomethyl)-3-pyridin-2-ylpropanenitrile

C9H11N3 — CID 82502788

IUPAC2-(aminomethyl)-3-pyridin-2-ylpropanenitrile
SMILESN#CC(CN)Cc1ccccn1
InChIInChI=1S/C9H11N3/c10-6-8(7-11)5-9-3-1-2-4-12-9/h1-4,8H,5-6,10H2
InChIKeyUCUJKDUVKJRLTA-UHFFFAOYSA-N
MW161.21 g/mol
LogP0.72
Rot. Bonds3

About 2-(aminomethyl)-3-pyridin-2-ylpropanenitrile

2-(aminomethyl)-3-pyridin-2-ylpropanenitrile (PubChem CID 82502788) has the molecular formula C9H11N3 and a molecular weight of 161.21 g/mol. Its IUPAC name is 2-(aminomethyl)-3-pyridin-2-ylpropanenitrile.

Molecular Properties

Compound Name2-(aminomethyl)-3-pyridin-2-ylpropanenitrile
PubChem CID82502788
Molecular FormulaC9H11N3
Molecular Weight161.21 g/mol
Exact Mass161.10
IUPAC Name2-(aminomethyl)-3-pyridin-2-ylpropanenitrile
SMILESN#CC(CN)Cc1ccccn1
InChIInChI=1S/C9H11N3/c10-6-8(7-11)5-9-3-1-2-4-12-9/h1-4,8H,5-6,10H2
InChIKeyUCUJKDUVKJRLTA-UHFFFAOYSA-N
XLogP0.72
TPSA62.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.21
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(pyridin-2-ylmethyl)heptanenitrile
CID 67860506
sodium 2-formyl-3-pyridin-2-ylpropanenitrile
CID 22323282
2-[[methyl(pyridin-2-ylmethyl)amino]methyl]butanenitrile
CID 115253964
(2S)-1-pyridin-2-ylpropan-2-amine
CID 42037572
3,3-dimethyl-1-pyridin-2-ylbutan-2-ol
CID 62393585
ethane;pyridin-2-ylmethanamine
CID 90791011
2-(4-methoxyphenyl)-3-pyridin-2-ylpropanenitrile
CID 82084085
3,3,3-trifluoro-2-N-methyl-2-N-(pyridin-2-ylmethyl)propane-1,2-diamine
CID 43752727
4-pyridin-2-yl-2-pyridin-4-ylbutane-1,3-diamine
CID 57323953
(3R)-3-amino-2,2-dimethyl-4-pyridin-2-ylbutan-1-ol
CID 135132625
1-pyridin-2-ylbut-3-yn-2-ylhydrazine
CID 105199857
2-amino-3-pyridin-2-ylpropanal
CID 22556784

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-3-pyridin-2-ylpropanenitrile?
The IUPAC name of 2-(aminomethyl)-3-pyridin-2-ylpropanenitrile (CID 82502788) is 2-(aminomethyl)-3-pyridin-2-ylpropanenitrile.
What is the SMILES notation for 2-(aminomethyl)-3-pyridin-2-ylpropanenitrile?
The canonical SMILES for 2-(aminomethyl)-3-pyridin-2-ylpropanenitrile is N#CC(CN)Cc1ccccn1.
What is the InChIKey of 2-(aminomethyl)-3-pyridin-2-ylpropanenitrile?
The InChIKey is UCUJKDUVKJRLTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3/c10-6-8(7-11)5-9-3-1-2-4-12-9/h1-4,8H,5-6,10H2.
What are the key properties of 2-(aminomethyl)-3-pyridin-2-ylpropanenitrile?
2-(aminomethyl)-3-pyridin-2-ylpropanenitrile has a molecular weight of 161.21 g/mol, XLogP of 0.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-3-pyridin-2-ylpropanenitrile is sourced from PubChem (CID 82502788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).