2-[1-cyanoethyl(methyl)amino]-N-propan-2-ylacetamide

C9H17N3O — CID 60670289

IUPAC2-[1-cyanoethyl(methyl)amino]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CN(C)C(C)C#N
InChIInChI=1S/C9H17N3O/c1-7(2)11-9(13)6-12(4)8(3)5-10/h7-8H,6H2,1-4H3,(H,11,13)
InChIKeyZARKBQNWQUERMN-UHFFFAOYSA-N
MW183.25 g/mol
LogP0.35
Rot. Bonds4

About 2-[1-cyanoethyl(methyl)amino]-N-propan-2-ylacetamide

2-[1-cyanoethyl(methyl)amino]-N-propan-2-ylacetamide (PubChem CID 60670289) has the molecular formula C9H17N3O and a molecular weight of 183.25 g/mol. Its IUPAC name is 2-[1-cyanoethyl(methyl)amino]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[1-cyanoethyl(methyl)amino]-N-propan-2-ylacetamide
PubChem CID60670289
Molecular FormulaC9H17N3O
Molecular Weight183.25 g/mol
Exact Mass183.14
IUPAC Name2-[1-cyanoethyl(methyl)amino]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CN(C)C(C)C#N
InChIInChI=1S/C9H17N3O/c1-7(2)11-9(13)6-12(4)8(3)5-10/h7-8H,6H2,1-4H3,(H,11,13)
InChIKeyZARKBQNWQUERMN-UHFFFAOYSA-N
XLogP0.35
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-cyanoethyl(methyl)amino]-N-pentan-3-ylacetamide
CID 55207660
2-[1-cyanoethyl(ethyl)amino]-N-propan-2-ylacetamide
CID 60646285
2-[1-cyanoethyl(methyl)amino]-N-cyclopropylacetamide
CID 60670090
2-[1-cyanobutan-2-yl(methyl)amino]-N-propan-2-ylacetamide
CID 55208590
2-[cyanomethyl(methyl)amino]-N-propan-2-ylacetamide
CID 60677035
N-[(1R)-1-cyanoethyl]-2-(dimethylamino)acetamide
CID 131089479
2-[methyl(methylcarbamoyl)amino]-N-propan-2-ylacetamide
CID 115575214
3-cyano-N-propan-2-ylbutanamide
CID 82111212
(2R)-N-(1-cyanocyclohexyl)-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]propanamide
CID 9050018
2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]pentanoic acid
CID 83042024
2-[(5-hydrazinyl-5-oxopentan-2-yl)-methylamino]-N-propan-2-ylacetamide
CID 63585709
N-(4-bromo-2-methylphenyl)-2-[[(1S)-1-cyanoethyl]-methylamino]acetamide
CID 9303278

Frequently Asked Questions

What is the IUPAC name of 2-[1-cyanoethyl(methyl)amino]-N-propan-2-ylacetamide?
The IUPAC name of 2-[1-cyanoethyl(methyl)amino]-N-propan-2-ylacetamide (CID 60670289) is 2-[1-cyanoethyl(methyl)amino]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[1-cyanoethyl(methyl)amino]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[1-cyanoethyl(methyl)amino]-N-propan-2-ylacetamide is CC(C)NC(=O)CN(C)C(C)C#N.
What is the InChIKey of 2-[1-cyanoethyl(methyl)amino]-N-propan-2-ylacetamide?
The InChIKey is ZARKBQNWQUERMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O/c1-7(2)11-9(13)6-12(4)8(3)5-10/h7-8H,6H2,1-4H3,(H,11,13).
What are the key properties of 2-[1-cyanoethyl(methyl)amino]-N-propan-2-ylacetamide?
2-[1-cyanoethyl(methyl)amino]-N-propan-2-ylacetamide has a molecular weight of 183.25 g/mol, XLogP of 0.35, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-cyanoethyl(methyl)amino]-N-propan-2-ylacetamide is sourced from PubChem (CID 60670289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).