3-methyl-2-[[methyl(pyridin-2-yl)amino]methyl]butanenitrile

C12H17N3 — CID 115254408

IUPAC3-methyl-2-[[methyl(pyridin-2-yl)amino]methyl]butanenitrile
SMILESCC(C)C(C#N)CN(C)c1ccccn1
InChIInChI=1S/C12H17N3/c1-10(2)11(8-13)9-15(3)12-6-4-5-7-14-12/h4-7,10-11H,9H2,1-3H3
InChIKeyBKMTUAPKQYALIY-UHFFFAOYSA-N
MW203.29 g/mol
LogP2.31
Rot. Bonds4

About 3-methyl-2-[[methyl(pyridin-2-yl)amino]methyl]butanenitrile

3-methyl-2-[[methyl(pyridin-2-yl)amino]methyl]butanenitrile (PubChem CID 115254408) has the molecular formula C12H17N3 and a molecular weight of 203.29 g/mol. Its IUPAC name is 3-methyl-2-[[methyl(pyridin-2-yl)amino]methyl]butanenitrile.

Molecular Properties

Compound Name3-methyl-2-[[methyl(pyridin-2-yl)amino]methyl]butanenitrile
PubChem CID115254408
Molecular FormulaC12H17N3
Molecular Weight203.29 g/mol
Exact Mass203.14
IUPAC Name3-methyl-2-[[methyl(pyridin-2-yl)amino]methyl]butanenitrile
SMILESCC(C)C(C#N)CN(C)c1ccccn1
InChIInChI=1S/C12H17N3/c1-10(2)11(8-13)9-15(3)12-6-4-5-7-14-12/h4-7,10-11H,9H2,1-3H3
InChIKeyBKMTUAPKQYALIY-UHFFFAOYSA-N
XLogP2.31
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 ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[methyl(pyridin-2-yl)amino]butanenitrile
CID 115231630
N-methyl-N-propylpyridin-2-amine;hydrochloride
CID 69422308
N-ethyl-N-methylpyridin-2-amine;hydrochloride
CID 175013921
3-methyl-2-[[methyl(pyridin-3-yl)amino]methyl]butanenitrile
CID 115254409
N'-methyl-N,N,N',1-tetrapyridin-2-ylethane-1,2-diamine
CID 175404496
2-ethyl-N'-methyl-N'-pyridin-2-ylpropane-1,3-diamine
CID 115251395
N'-methyl-N'-pyridin-2-ylpropane-1,3-diamine;dihydrochloride
CID 134690924
2-[dimethylamino(pyridin-2-yl)methyl]butanenitrile
CID 116913747
ethane;N'-methyl-N'-pyridin-2-ylmethanediamine
CID 91614077
3-[methyl(pyridin-2-yl)amino]propan-1-ol
CID 57466357
N-methyl-N-[2-(methylaminooxy)ethyl]pyridin-2-amine
CID 89132306
3-methyl-2-[[methyl(1H-pyrrol-2-yl)amino]methyl]butanenitrile
CID 115254376

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[[methyl(pyridin-2-yl)amino]methyl]butanenitrile?
The IUPAC name of 3-methyl-2-[[methyl(pyridin-2-yl)amino]methyl]butanenitrile (CID 115254408) is 3-methyl-2-[[methyl(pyridin-2-yl)amino]methyl]butanenitrile.
What is the SMILES notation for 3-methyl-2-[[methyl(pyridin-2-yl)amino]methyl]butanenitrile?
The canonical SMILES for 3-methyl-2-[[methyl(pyridin-2-yl)amino]methyl]butanenitrile is CC(C)C(C#N)CN(C)c1ccccn1.
What is the InChIKey of 3-methyl-2-[[methyl(pyridin-2-yl)amino]methyl]butanenitrile?
The InChIKey is BKMTUAPKQYALIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3/c1-10(2)11(8-13)9-15(3)12-6-4-5-7-14-12/h4-7,10-11H,9H2,1-3H3.
What are the key properties of 3-methyl-2-[[methyl(pyridin-2-yl)amino]methyl]butanenitrile?
3-methyl-2-[[methyl(pyridin-2-yl)amino]methyl]butanenitrile has a molecular weight of 203.29 g/mol, XLogP of 2.31, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[[methyl(pyridin-2-yl)amino]methyl]butanenitrile is sourced from PubChem (CID 115254408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).