3-[(2-cyclopropyl-2-oxoethyl)-methylamino]-2-methylpropanenitrile

C10H16N2O — CID 63915190

IUPAC3-[(2-cyclopropyl-2-oxoethyl)-methylamino]-2-methylpropanenitrile
SMILESCC(C#N)CN(C)CC(=O)C1CC1
InChIInChI=1S/C10H16N2O/c1-8(5-11)6-12(2)7-10(13)9-3-4-9/h8-9H,3-4,6-7H2,1-2H3
InChIKeyHDUKLIATZVGRTB-UHFFFAOYSA-N
MW180.25 g/mol
LogP1.06
Rot. Bonds5

About 3-[(2-cyclopropyl-2-oxoethyl)-methylamino]-2-methylpropanenitrile

3-[(2-cyclopropyl-2-oxoethyl)-methylamino]-2-methylpropanenitrile (PubChem CID 63915190) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is 3-[(2-cyclopropyl-2-oxoethyl)-methylamino]-2-methylpropanenitrile.

Molecular Properties

Compound Name3-[(2-cyclopropyl-2-oxoethyl)-methylamino]-2-methylpropanenitrile
PubChem CID63915190
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name3-[(2-cyclopropyl-2-oxoethyl)-methylamino]-2-methylpropanenitrile
SMILESCC(C#N)CN(C)CC(=O)C1CC1
InChIInChI=1S/C10H16N2O/c1-8(5-11)6-12(2)7-10(13)9-3-4-9/h8-9H,3-4,6-7H2,1-2H3
InChIKeyHDUKLIATZVGRTB-UHFFFAOYSA-N
XLogP1.06
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-3-[methyl(2-oxopropyl)amino]propanenitrile
CID 62051687
2-methyl-3-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]propanenitrile
CID 60699941
2-methyl-3-[methyl(2-methylidenebutyl)amino]propanenitrile
CID 66043790
2-methyl-3-[methyl(3-oxobutyl)amino]propanenitrile
CID 62051295
1-cyclopropyl-2-[methyl(2-propan-2-yloxyethyl)amino]ethanone
CID 81057640
ethyl 4-[2-cyanopropyl(methyl)amino]-3-oxobutanoate
CID 63898502
3-[[2-(4-hydroxyphenyl)-2-oxoethyl]-methylamino]-2-methylpropanenitrile
CID 62051504
cis-(1R,3S)-3-[[2-cyanopropyl(methyl)carbamoyl]amino]cyclopentane-1-carboxylic acid
CID 106319528
N-(2-cyanopropyl)-N-ethylcyclopentanecarboxamide
CID 51092606
N-(2-cyanopropyl)-N-methylpyrrolidine-1-carboxamide
CID 78969862
ethyl 4-[2-cyanopropyl(methyl)amino]-2,2-dimethyl-3-oxobutanoate
CID 113369719
1-(2-cyanopropyl)-1,3,3-trimethylurea
CID 78969861

Frequently Asked Questions

What is the IUPAC name of 3-[(2-cyclopropyl-2-oxoethyl)-methylamino]-2-methylpropanenitrile?
The IUPAC name of 3-[(2-cyclopropyl-2-oxoethyl)-methylamino]-2-methylpropanenitrile (CID 63915190) is 3-[(2-cyclopropyl-2-oxoethyl)-methylamino]-2-methylpropanenitrile.
What is the SMILES notation for 3-[(2-cyclopropyl-2-oxoethyl)-methylamino]-2-methylpropanenitrile?
The canonical SMILES for 3-[(2-cyclopropyl-2-oxoethyl)-methylamino]-2-methylpropanenitrile is CC(C#N)CN(C)CC(=O)C1CC1.
What is the InChIKey of 3-[(2-cyclopropyl-2-oxoethyl)-methylamino]-2-methylpropanenitrile?
The InChIKey is HDUKLIATZVGRTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c1-8(5-11)6-12(2)7-10(13)9-3-4-9/h8-9H,3-4,6-7H2,1-2H3.
What are the key properties of 3-[(2-cyclopropyl-2-oxoethyl)-methylamino]-2-methylpropanenitrile?
3-[(2-cyclopropyl-2-oxoethyl)-methylamino]-2-methylpropanenitrile has a molecular weight of 180.25 g/mol, XLogP of 1.06, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-cyclopropyl-2-oxoethyl)-methylamino]-2-methylpropanenitrile is sourced from PubChem (CID 63915190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).