2-[[methyl(pyridin-2-ylmethyl)amino]methyl]butanenitrile

C12H17N3 — CID 115253964

IUPAC2-[[methyl(pyridin-2-ylmethyl)amino]methyl]butanenitrile
SMILESCCC(C#N)CN(C)Cc1ccccn1
InChIInChI=1S/C12H17N3/c1-3-11(8-13)9-15(2)10-12-6-4-5-7-14-12/h4-7,11H,3,9-10H2,1-2H3
InChIKeyQBPTZGINSYFQHW-UHFFFAOYSA-N
MW203.29 g/mol
LogP2.06
Rot. Bonds5

About 2-[[methyl(pyridin-2-ylmethyl)amino]methyl]butanenitrile

2-[[methyl(pyridin-2-ylmethyl)amino]methyl]butanenitrile (PubChem CID 115253964) has the molecular formula C12H17N3 and a molecular weight of 203.29 g/mol. Its IUPAC name is 2-[[methyl(pyridin-2-ylmethyl)amino]methyl]butanenitrile.

Molecular Properties

Compound Name2-[[methyl(pyridin-2-ylmethyl)amino]methyl]butanenitrile
PubChem CID115253964
Molecular FormulaC12H17N3
Molecular Weight203.29 g/mol
Exact Mass203.14
IUPAC Name2-[[methyl(pyridin-2-ylmethyl)amino]methyl]butanenitrile
SMILESCCC(C#N)CN(C)Cc1ccccn1
InChIInChI=1S/C12H17N3/c1-3-11(8-13)9-15(2)10-12-6-4-5-7-14-12/h4-7,11H,3,9-10H2,1-2H3
InChIKeyQBPTZGINSYFQHW-UHFFFAOYSA-N
XLogP2.06
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[[methyl(pyridin-2-ylmethyl)amino]methyl]butanenitrile 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

N-methyl-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine;hydrochloride
CID 174963433
ethane;N-methyl-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine
CID 145471467
2-[[(4-fluorophenyl)methyl-methylamino]methyl]butanenitrile
CID 115253889
1-chloro-3-[methyl(pyridin-2-ylmethyl)amino]propan-2-ol
CID 112561273
2-N-ethyl-1-N-methyl-1-N-(pyridin-2-ylmethyl)pentane-1,2-diamine
CID 62044465
2-(aminomethyl)-3-pyridin-2-ylpropanenitrile
CID 82502788
1-(methylamino)-3-[methyl(pyridin-2-ylmethyl)amino]propan-2-ol
CID 43564841
2-methyl-1-[methyl(pyridin-2-ylmethyl)amino]propane-2-thiol
CID 91261751
2-(pyridin-2-ylmethyl)heptanenitrile
CID 67860506
N-butan-2-yl-N'-methyl-N'-(pyridin-2-ylmethyl)ethane-1,2-diamine
CID 60853394
tris(acetonitrile);lutetium(3+);bis(1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine);triiodide
CID 139129489
1-N,2-N,2-trimethyl-1-N-(pyridin-2-ylmethyl)propane-1,2-diamine
CID 62846215

Frequently Asked Questions

What is the IUPAC name of 2-[[methyl(pyridin-2-ylmethyl)amino]methyl]butanenitrile?
The IUPAC name of 2-[[methyl(pyridin-2-ylmethyl)amino]methyl]butanenitrile (CID 115253964) is 2-[[methyl(pyridin-2-ylmethyl)amino]methyl]butanenitrile.
What is the SMILES notation for 2-[[methyl(pyridin-2-ylmethyl)amino]methyl]butanenitrile?
The canonical SMILES for 2-[[methyl(pyridin-2-ylmethyl)amino]methyl]butanenitrile is CCC(C#N)CN(C)Cc1ccccn1.
What is the InChIKey of 2-[[methyl(pyridin-2-ylmethyl)amino]methyl]butanenitrile?
The InChIKey is QBPTZGINSYFQHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3/c1-3-11(8-13)9-15(2)10-12-6-4-5-7-14-12/h4-7,11H,3,9-10H2,1-2H3.
What are the key properties of 2-[[methyl(pyridin-2-ylmethyl)amino]methyl]butanenitrile?
2-[[methyl(pyridin-2-ylmethyl)amino]methyl]butanenitrile has a molecular weight of 203.29 g/mol, XLogP of 2.06, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[methyl(pyridin-2-ylmethyl)amino]methyl]butanenitrile is sourced from PubChem (CID 115253964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).