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

C12H17N3 — CID 115254409

IUPAC3-methyl-2-[[methyl(pyridin-3-yl)amino]methyl]butanenitrile
SMILESCC(C)C(C#N)CN(C)c1cccnc1
InChIInChI=1S/C12H17N3/c1-10(2)11(7-13)9-15(3)12-5-4-6-14-8-12/h4-6,8,10-11H,9H2,1-3H3
InChIKeyNSNDAPJALMOQFV-UHFFFAOYSA-N
MW203.29 g/mol
LogP2.31
Rot. Bonds4

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

3-methyl-2-[[methyl(pyridin-3-yl)amino]methyl]butanenitrile (PubChem CID 115254409) has the molecular formula C12H17N3 and a molecular weight of 203.29 g/mol. Its IUPAC name is 3-methyl-2-[[methyl(pyridin-3-yl)amino]methyl]butanenitrile.

Molecular Properties

Compound Name3-methyl-2-[[methyl(pyridin-3-yl)amino]methyl]butanenitrile
PubChem CID115254409
Molecular FormulaC12H17N3
Molecular Weight203.29 g/mol
Exact Mass203.14
IUPAC Name3-methyl-2-[[methyl(pyridin-3-yl)amino]methyl]butanenitrile
SMILESCC(C)C(C#N)CN(C)c1cccnc1
InChIInChI=1S/C12H17N3/c1-10(2)11(7-13)9-15(3)12-5-4-6-14-8-12/h4-6,8,10-11H,9H2,1-3H3
InChIKeyNSNDAPJALMOQFV-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

3-methyl-2-[[methyl(pyridin-3-yl)amino]methyl]butan-1-ol
CID 115251995
3-methyl-2-[[methyl(pyridin-2-yl)amino]methyl]butanenitrile
CID 115254408
3-methyl-2-[[methyl(1H-pyrrol-2-yl)amino]methyl]butanenitrile
CID 115254376
N'-methyl-N-propan-2-yl-N'-pyridin-3-ylethane-1,2-diamine
CID 115206418
3-methyl-2-[[methyl-(5-methylfuran-2-yl)amino]methyl]butanenitrile
CID 115254413
2-[methyl(2-pyridin-3-ylethyl)amino]propanenitrile
CID 63264562
3-methyl-2-[(N,2,3,4-tetramethylanilino)methyl]butanenitrile
CID 115254418
5-[2-cyanopropyl(methyl)amino]pyridine-2-carbonitrile
CID 115487373
2-(dimethylamino)-3-pyridin-3-ylpropanenitrile
CID 82074886
N,N-dimethylpyridin-3-amine;hydrochloride
CID 23028557
N-methyl-N-(3-piperazin-1-ylbutyl)pyridin-3-amine
CID 115255466
2-methyl-2-[methyl(pyridin-3-yl)amino]propan-1-ol
CID 115133332

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[[methyl(pyridin-3-yl)amino]methyl]butanenitrile?
The IUPAC name of 3-methyl-2-[[methyl(pyridin-3-yl)amino]methyl]butanenitrile (CID 115254409) is 3-methyl-2-[[methyl(pyridin-3-yl)amino]methyl]butanenitrile.
What is the SMILES notation for 3-methyl-2-[[methyl(pyridin-3-yl)amino]methyl]butanenitrile?
The canonical SMILES for 3-methyl-2-[[methyl(pyridin-3-yl)amino]methyl]butanenitrile is CC(C)C(C#N)CN(C)c1cccnc1.
What is the InChIKey of 3-methyl-2-[[methyl(pyridin-3-yl)amino]methyl]butanenitrile?
The InChIKey is NSNDAPJALMOQFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3/c1-10(2)11(7-13)9-15(3)12-5-4-6-14-8-12/h4-6,8,10-11H,9H2,1-3H3.
What are the key properties of 3-methyl-2-[[methyl(pyridin-3-yl)amino]methyl]butanenitrile?
3-methyl-2-[[methyl(pyridin-3-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-3-yl)amino]methyl]butanenitrile is sourced from PubChem (CID 115254409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).