2-methyl-3-[(6-methyl-2-pyridinyl)methylamino]propanenitrile

C11H15N3 — CID 62321970

IUPAC2-methyl-3-[(6-methyl-2-pyridinyl)methylamino]propanenitrile
SMILESCc1cccc(CNCC(C)C#N)n1
InChIInChI=1S/C11H15N3/c1-9(6-12)7-13-8-11-5-3-4-10(2)14-11/h3-5,9,13H,7-8H2,1-2H3
InChIKeyLUJLVUPDMGRZNI-UHFFFAOYSA-N
MW189.26 g/mol
LogP1.64
Rot. Bonds4

About 2-methyl-3-[(6-methyl-2-pyridinyl)methylamino]propanenitrile

2-methyl-3-[(6-methyl-2-pyridinyl)methylamino]propanenitrile (PubChem CID 62321970) has the molecular formula C11H15N3 and a molecular weight of 189.26 g/mol. Its IUPAC name is 2-methyl-3-[(6-methyl-2-pyridinyl)methylamino]propanenitrile.

Molecular Properties

Compound Name2-methyl-3-[(6-methyl-2-pyridinyl)methylamino]propanenitrile
PubChem CID62321970
Molecular FormulaC11H15N3
Molecular Weight189.26 g/mol
Exact Mass189.13
IUPAC Name2-methyl-3-[(6-methyl-2-pyridinyl)methylamino]propanenitrile
SMILESCc1cccc(CNCC(C)C#N)n1
InChIInChI=1S/C11H15N3/c1-9(6-12)7-13-8-11-5-3-4-10(2)14-11/h3-5,9,13H,7-8H2,1-2H3
InChIKeyLUJLVUPDMGRZNI-UHFFFAOYSA-N
XLogP1.64
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(6-methoxy-2-pyridinyl)methylamino]-2-methylpropanenitrile
CID 103347709
2-methyl-N-[(6-methyl-2-pyridinyl)methyl]-3-methylsulfanylpropan-1-amine
CID 79267876
1-(6-methyl-2-pyridinyl)-N-[(6-methyl-2-pyridinyl)methyl]methanamine
CID 15491901
2-methyl-3-[(1-methylpyrazol-3-yl)methylamino]propanenitrile
CID 82881594
2-ethyl-N-[(6-methyl-2-pyridinyl)methyl]hexan-1-amine
CID 62323894
N'-[(6-methyl-2-pyridinyl)methyl]ethane-1,2-diamine
CID 14280569
2-methyl-3-(pyrazin-2-ylmethylamino)propanenitrile
CID 62763078
N-[(6-methyl-2-pyridinyl)methyl]-1-pyridin-2-ylmethanamine
CID 15900109
5-[[(6-methyl-2-pyridinyl)methylamino]methyl]thiophene-3-carbonitrile
CID 79552994
N-(2-methylpropoxy)-1-(6-methyl-2-pyridinyl)methanamine
CID 82714626
(E)-3-chloro-N-[(6-methyl-2-pyridinyl)methyl]prop-2-en-1-amine
CID 107899871
2-methyl-N-[(6-methyl-2-pyridinyl)methyl]prop-2-en-1-amine
CID 62332060

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[(6-methyl-2-pyridinyl)methylamino]propanenitrile?
The IUPAC name of 2-methyl-3-[(6-methyl-2-pyridinyl)methylamino]propanenitrile (CID 62321970) is 2-methyl-3-[(6-methyl-2-pyridinyl)methylamino]propanenitrile.
What is the SMILES notation for 2-methyl-3-[(6-methyl-2-pyridinyl)methylamino]propanenitrile?
The canonical SMILES for 2-methyl-3-[(6-methyl-2-pyridinyl)methylamino]propanenitrile is Cc1cccc(CNCC(C)C#N)n1.
What is the InChIKey of 2-methyl-3-[(6-methyl-2-pyridinyl)methylamino]propanenitrile?
The InChIKey is LUJLVUPDMGRZNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3/c1-9(6-12)7-13-8-11-5-3-4-10(2)14-11/h3-5,9,13H,7-8H2,1-2H3.
What are the key properties of 2-methyl-3-[(6-methyl-2-pyridinyl)methylamino]propanenitrile?
2-methyl-3-[(6-methyl-2-pyridinyl)methylamino]propanenitrile has a molecular weight of 189.26 g/mol, XLogP of 1.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[(6-methyl-2-pyridinyl)methylamino]propanenitrile is sourced from PubChem (CID 62321970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).