2-methyl-2-[methyl(2-pyridin-4-ylethyl)amino]propanenitrile

C12H17N3 — CID 82282650

IUPAC2-methyl-2-[methyl(2-pyridin-4-ylethyl)amino]propanenitrile
SMILESCN(CCc1ccncc1)C(C)(C)C#N
InChIInChI=1S/C12H17N3/c1-12(2,10-13)15(3)9-6-11-4-7-14-8-5-11/h4-5,7-8H,6,9H2,1-3H3
InChIKeyCSBGPQDFRHIPCB-UHFFFAOYSA-N
MW203.29 g/mol
LogP1.86
Rot. Bonds4

About 2-methyl-2-[methyl(2-pyridin-4-ylethyl)amino]propanenitrile

2-methyl-2-[methyl(2-pyridin-4-ylethyl)amino]propanenitrile (PubChem CID 82282650) has the molecular formula C12H17N3 and a molecular weight of 203.29 g/mol. Its IUPAC name is 2-methyl-2-[methyl(2-pyridin-4-ylethyl)amino]propanenitrile.

Molecular Properties

Compound Name2-methyl-2-[methyl(2-pyridin-4-ylethyl)amino]propanenitrile
PubChem CID82282650
Molecular FormulaC12H17N3
Molecular Weight203.29 g/mol
Exact Mass203.14
IUPAC Name2-methyl-2-[methyl(2-pyridin-4-ylethyl)amino]propanenitrile
SMILESCN(CCc1ccncc1)C(C)(C)C#N
InChIInChI=1S/C12H17N3/c1-12(2,10-13)15(3)9-6-11-4-7-14-8-5-11/h4-5,7-8H,6,9H2,1-3H3
InChIKeyCSBGPQDFRHIPCB-UHFFFAOYSA-N
XLogP1.86
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 ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(4-bromophenyl)ethyl-methylamino]-2-methylpropanenitrile
CID 115129670
2-[2-(4-methoxyphenyl)ethyl-methylamino]-2-methylpropanenitrile
CID 115129671
2-[methyl(2-pyridin-4-ylethyl)amino]acetonitrile
CID 22688898
2-[2-(4-ethoxyphenyl)ethyl-methylamino]-2-methylpropanenitrile
CID 115129696
2-amino-2-methyl-4-[methyl(2-pyridin-4-ylethyl)amino]pentanenitrile
CID 64726284
N-tert-butyl-N'-methyl-N'-(2-pyridin-4-ylethyl)ethane-1,2-diamine
CID 61387145
N-(2-bromoethyl)-N-methyl-2-pyridin-4-ylethanamine
CID 61286935
2-methyl-2-(methylamino)-4-[methyl(2-pyridin-4-ylethyl)amino]butan-1-ol
CID 64826060
4,4-dimethyl-1-[methyl(2-pyridin-4-ylethyl)amino]pentan-3-one
CID 62624763
2-(methylamino)-4-[methyl(2-pyridin-4-ylethyl)amino]butanenitrile
CID 63029274
2-[2-(2,5-difluorophenyl)ethyl-methylamino]-2-methylpropanenitrile
CID 115129698
2-[propyl(2-pyridin-4-ylethyl)amino]acetonitrile
CID 55207049

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[methyl(2-pyridin-4-ylethyl)amino]propanenitrile?
The IUPAC name of 2-methyl-2-[methyl(2-pyridin-4-ylethyl)amino]propanenitrile (CID 82282650) is 2-methyl-2-[methyl(2-pyridin-4-ylethyl)amino]propanenitrile.
What is the SMILES notation for 2-methyl-2-[methyl(2-pyridin-4-ylethyl)amino]propanenitrile?
The canonical SMILES for 2-methyl-2-[methyl(2-pyridin-4-ylethyl)amino]propanenitrile is CN(CCc1ccncc1)C(C)(C)C#N.
What is the InChIKey of 2-methyl-2-[methyl(2-pyridin-4-ylethyl)amino]propanenitrile?
The InChIKey is CSBGPQDFRHIPCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3/c1-12(2,10-13)15(3)9-6-11-4-7-14-8-5-11/h4-5,7-8H,6,9H2,1-3H3.
What are the key properties of 2-methyl-2-[methyl(2-pyridin-4-ylethyl)amino]propanenitrile?
2-methyl-2-[methyl(2-pyridin-4-ylethyl)amino]propanenitrile has a molecular weight of 203.29 g/mol, XLogP of 1.86, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[methyl(2-pyridin-4-ylethyl)amino]propanenitrile is sourced from PubChem (CID 82282650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).