2-methyl-3-[methyl(2-oxopropyl)amino]propanenitrile

C8H14N2O — CID 62051687

IUPAC2-methyl-3-[methyl(2-oxopropyl)amino]propanenitrile
SMILESCC(=O)CN(C)CC(C)C#N
InChIInChI=1S/C8H14N2O/c1-7(4-9)5-10(3)6-8(2)11/h7H,5-6H2,1-3H3
InChIKeyCBUDBOIECNDHCI-UHFFFAOYSA-N
MW154.21 g/mol
LogP0.67
Rot. Bonds4

About 2-methyl-3-[methyl(2-oxopropyl)amino]propanenitrile

2-methyl-3-[methyl(2-oxopropyl)amino]propanenitrile (PubChem CID 62051687) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is 2-methyl-3-[methyl(2-oxopropyl)amino]propanenitrile.

Molecular Properties

Compound Name2-methyl-3-[methyl(2-oxopropyl)amino]propanenitrile
PubChem CID62051687
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC Name2-methyl-3-[methyl(2-oxopropyl)amino]propanenitrile
SMILESCC(=O)CN(C)CC(C)C#N
InChIInChI=1S/C8H14N2O/c1-7(4-9)5-10(3)6-8(2)11/h7H,5-6H2,1-3H3
InChIKeyCBUDBOIECNDHCI-UHFFFAOYSA-N
XLogP0.67
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 50.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-3-[methyl(3-oxobutyl)amino]propanenitrile
CID 62051295
3-[(2-cyclopropyl-2-oxoethyl)-methylamino]-2-methylpropanenitrile
CID 63915190
2-methyl-3-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]propanenitrile
CID 60699941
2-methyl-3-[methyl(2-methylidenebutyl)amino]propanenitrile
CID 66043790
ethyl 4-[2-cyanopropyl(methyl)amino]-3-oxobutanoate
CID 63898502
3-[[2-(4-hydroxyphenyl)-2-oxoethyl]-methylamino]-2-methylpropanenitrile
CID 62051504
ethyl 4-[2-cyanopropyl(methyl)amino]-2,2-dimethyl-3-oxobutanoate
CID 113369719
1-(2-cyanopropyl)-1,3,3-trimethylurea
CID 78969861
3-[[2-(3-fluorophenyl)-2-oxoethyl]-methylamino]-2-methylpropanenitrile
CID 62051693
N-(2-cyanopropyl)-4-hydroxy-N-methylpentanamide
CID 79204539
2-[2-cyanopropyl(ethyl)amino]-N,N-dimethylacetamide
CID 61450794
2-[2-cyanopropyl(methyl)amino]-N-(4-methoxyphenyl)acetamide
CID 47117936

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[methyl(2-oxopropyl)amino]propanenitrile?
The IUPAC name of 2-methyl-3-[methyl(2-oxopropyl)amino]propanenitrile (CID 62051687) is 2-methyl-3-[methyl(2-oxopropyl)amino]propanenitrile.
What is the SMILES notation for 2-methyl-3-[methyl(2-oxopropyl)amino]propanenitrile?
The canonical SMILES for 2-methyl-3-[methyl(2-oxopropyl)amino]propanenitrile is CC(=O)CN(C)CC(C)C#N.
What is the InChIKey of 2-methyl-3-[methyl(2-oxopropyl)amino]propanenitrile?
The InChIKey is CBUDBOIECNDHCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O/c1-7(4-9)5-10(3)6-8(2)11/h7H,5-6H2,1-3H3.
What are the key properties of 2-methyl-3-[methyl(2-oxopropyl)amino]propanenitrile?
2-methyl-3-[methyl(2-oxopropyl)amino]propanenitrile has a molecular weight of 154.21 g/mol, XLogP of 0.67, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[methyl(2-oxopropyl)amino]propanenitrile is sourced from PubChem (CID 62051687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).