2-[dimethylamino(pyridin-2-yl)methyl]butanenitrile

C12H17N3 — CID 116913747

IUPAC2-[dimethylamino(pyridin-2-yl)methyl]butanenitrile
SMILESCCC(C#N)C(c1ccccn1)N(C)C
InChIInChI=1S/C12H17N3/c1-4-10(9-13)12(15(2)3)11-7-5-6-8-14-11/h5-8,10,12H,4H2,1-3H3
InChIKeyJHCXDBZSUITRNR-UHFFFAOYSA-N
MW203.29 g/mol
LogP2.23
Rot. Bonds4

About 2-[dimethylamino(pyridin-2-yl)methyl]butanenitrile

2-[dimethylamino(pyridin-2-yl)methyl]butanenitrile (PubChem CID 116913747) has the molecular formula C12H17N3 and a molecular weight of 203.29 g/mol. Its IUPAC name is 2-[dimethylamino(pyridin-2-yl)methyl]butanenitrile.

Molecular Properties

Compound Name2-[dimethylamino(pyridin-2-yl)methyl]butanenitrile
PubChem CID116913747
Molecular FormulaC12H17N3
Molecular Weight203.29 g/mol
Exact Mass203.14
IUPAC Name2-[dimethylamino(pyridin-2-yl)methyl]butanenitrile
SMILESCCC(C#N)C(c1ccccn1)N(C)C
InChIInChI=1S/C12H17N3/c1-4-10(9-13)12(15(2)3)11-7-5-6-8-14-11/h5-8,10,12H,4H2,1-3H3
InChIKeyJHCXDBZSUITRNR-UHFFFAOYSA-N
XLogP2.23
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-pyridin-2-ylbutanenitrile
CID 12520509
2-[dimethylamino(pyridin-2-yl)methyl]butanoic acid
CID 116913130
methyl 2-[dimethylamino(pyridin-2-yl)methyl]butanoate
CID 116913613
3-methyl-2-[[methyl(pyridin-2-yl)amino]methyl]butanenitrile
CID 115254408
2,2-dipyridin-2-ylacetonitrile
CID 14006057
2-[(4-butan-2-ylphenyl)-(dimethylamino)methyl]butanenitrile
CID 116913691
N-[cyano(pyridin-2-yl)methyl]-N-methylbutanamide
CID 82113915
ethane;2-pentan-3-ylpyridine
CID 142883968
1-methoxy-N,N-dimethyl-1-pyridin-2-ylmethanamine
CID 116914548
1-N-methyl-1-N-(2-phenylethyl)-1-pyridin-2-ylbutane-1,2-diamine
CID 65485650
(1S)-1-pyridin-2-ylpropan-1-amine;dihydrochloride
CID 122236499
2-[[(1R)-1-pyridin-2-ylethyl]amino]acetonitrile
CID 81407753

Frequently Asked Questions

What is the IUPAC name of 2-[dimethylamino(pyridin-2-yl)methyl]butanenitrile?
The IUPAC name of 2-[dimethylamino(pyridin-2-yl)methyl]butanenitrile (CID 116913747) is 2-[dimethylamino(pyridin-2-yl)methyl]butanenitrile.
What is the SMILES notation for 2-[dimethylamino(pyridin-2-yl)methyl]butanenitrile?
The canonical SMILES for 2-[dimethylamino(pyridin-2-yl)methyl]butanenitrile is CCC(C#N)C(c1ccccn1)N(C)C.
What is the InChIKey of 2-[dimethylamino(pyridin-2-yl)methyl]butanenitrile?
The InChIKey is JHCXDBZSUITRNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3/c1-4-10(9-13)12(15(2)3)11-7-5-6-8-14-11/h5-8,10,12H,4H2,1-3H3.
What are the key properties of 2-[dimethylamino(pyridin-2-yl)methyl]butanenitrile?
2-[dimethylamino(pyridin-2-yl)methyl]butanenitrile has a molecular weight of 203.29 g/mol, XLogP of 2.23, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[dimethylamino(pyridin-2-yl)methyl]butanenitrile is sourced from PubChem (CID 116913747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).