2-(diethylamino)-2-(6-methyl-3-pyridinyl)acetonitrile

C12H17N3 — CID 11264160

IUPAC2-(diethylamino)-2-(6-methyl-3-pyridinyl)acetonitrile
SMILESCCN(CC)C(C#N)c1ccc(C)nc1
InChIInChI=1S/C12H17N3/c1-4-15(5-2)12(8-13)11-7-6-10(3)14-9-11/h6-7,9,12H,4-5H2,1-3H3
InChIKeyXYGXXJJQYUIIGX-UHFFFAOYSA-N
MW203.29 g/mol
LogP2.30
Rot. Bonds4

About 2-(diethylamino)-2-(6-methyl-3-pyridinyl)acetonitrile

2-(diethylamino)-2-(6-methyl-3-pyridinyl)acetonitrile (PubChem CID 11264160) has the molecular formula C12H17N3 and a molecular weight of 203.29 g/mol. Its IUPAC name is 2-(diethylamino)-2-(6-methyl-3-pyridinyl)acetonitrile.

Molecular Properties

Compound Name2-(diethylamino)-2-(6-methyl-3-pyridinyl)acetonitrile
PubChem CID11264160
Molecular FormulaC12H17N3
Molecular Weight203.29 g/mol
Exact Mass203.14
IUPAC Name2-(diethylamino)-2-(6-methyl-3-pyridinyl)acetonitrile
SMILESCCN(CC)C(C#N)c1ccc(C)nc1
InChIInChI=1S/C12H17N3/c1-4-15(5-2)12(8-13)11-7-6-10(3)14-9-11/h6-7,9,12H,4-5H2,1-3H3
InChIKeyXYGXXJJQYUIIGX-UHFFFAOYSA-N
XLogP2.30
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 ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(diethylamino)-2-quinolin-6-ylacetonitrile
CID 63970802
2-(diethylamino)-2-(2-methyl-1H-imidazol-5-yl)acetonitrile
CID 84739660
2-(diethylamino)-2-(2,3-dimethylimidazol-4-yl)acetonitrile
CID 84739885
4-(6-methyl-3-pyridinyl)pentanenitrile
CID 15032258
2-(2-hydroxyethylamino)-2-(6-methyl-3-pyridinyl)acetonitrile
CID 104822478
2-(diethylamino)-2-(3-hydroxyphenyl)acetonitrile
CID 43802702
2-(dipropylamino)-2-(4-methylphenyl)acetonitrile
CID 84756866
N'-[2-amino-1-(6-methyl-3-pyridinyl)ethyl]-N,N,N'-triethylpropane-1,3-diamine
CID 102992123
2-(3-hydroxypropylamino)-2-(6-methyl-3-pyridinyl)acetonitrile
CID 104822479
2-(azepan-1-yl)-2-(6-methyl-3-pyridinyl)acetonitrile
CID 104823105
6-methylpyridine-3-carbonitrile;propane
CID 142590874
(1S)-N,N-dimethyl-1-(6-methyl-3-pyridinyl)butan-1-amine;ethane
CID 143571463

Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)-2-(6-methyl-3-pyridinyl)acetonitrile?
The IUPAC name of 2-(diethylamino)-2-(6-methyl-3-pyridinyl)acetonitrile (CID 11264160) is 2-(diethylamino)-2-(6-methyl-3-pyridinyl)acetonitrile.
What is the SMILES notation for 2-(diethylamino)-2-(6-methyl-3-pyridinyl)acetonitrile?
The canonical SMILES for 2-(diethylamino)-2-(6-methyl-3-pyridinyl)acetonitrile is CCN(CC)C(C#N)c1ccc(C)nc1.
What is the InChIKey of 2-(diethylamino)-2-(6-methyl-3-pyridinyl)acetonitrile?
The InChIKey is XYGXXJJQYUIIGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3/c1-4-15(5-2)12(8-13)11-7-6-10(3)14-9-11/h6-7,9,12H,4-5H2,1-3H3.
What are the key properties of 2-(diethylamino)-2-(6-methyl-3-pyridinyl)acetonitrile?
2-(diethylamino)-2-(6-methyl-3-pyridinyl)acetonitrile has a molecular weight of 203.29 g/mol, XLogP of 2.30, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)-2-(6-methyl-3-pyridinyl)acetonitrile is sourced from PubChem (CID 11264160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).