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

C10H19N3O — CID 60646285

IUPAC2-[1-cyanoethyl(ethyl)amino]-N-propan-2-ylacetamide
SMILESCCN(CC(=O)NC(C)C)C(C)C#N
InChIInChI=1S/C10H19N3O/c1-5-13(9(4)6-11)7-10(14)12-8(2)3/h8-9H,5,7H2,1-4H3,(H,12,14)
InChIKeyRNUCQHLLPNZEIK-UHFFFAOYSA-N
MW197.28 g/mol
LogP0.74
Rot. Bonds5

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

2-[1-cyanoethyl(ethyl)amino]-N-propan-2-ylacetamide (PubChem CID 60646285) has the molecular formula C10H19N3O and a molecular weight of 197.28 g/mol. Its IUPAC name is 2-[1-cyanoethyl(ethyl)amino]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[1-cyanoethyl(ethyl)amino]-N-propan-2-ylacetamide
PubChem CID60646285
Molecular FormulaC10H19N3O
Molecular Weight197.28 g/mol
Exact Mass197.15
IUPAC Name2-[1-cyanoethyl(ethyl)amino]-N-propan-2-ylacetamide
SMILESCCN(CC(=O)NC(C)C)C(C)C#N
InChIInChI=1S/C10H19N3O/c1-5-13(9(4)6-11)7-10(14)12-8(2)3/h8-9H,5,7H2,1-4H3,(H,12,14)
InChIKeyRNUCQHLLPNZEIK-UHFFFAOYSA-N
XLogP0.74
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-cyanoethyl(methyl)amino]-N-propan-2-ylacetamide
CID 60670289
2-[ethyl-(5-hydrazinyl-5-oxopentan-2-yl)amino]-N-propan-2-ylacetamide
CID 55214049
3-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]prop-2-enoic acid
CID 79896863
2-[(2-cyano-3,3,3-trifluoropropyl)-ethylamino]-N-propan-2-ylacetamide
CID 103367802
2-[cyanomethyl(methyl)amino]-N-propan-2-ylacetamide
CID 60677035
ethyl 2-[ethyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]pentanoate
CID 82841783
2-[1-cyanoethyl(methyl)amino]-N-pentan-3-ylacetamide
CID 55207660
3-cyano-N-propan-2-ylbutanamide
CID 82111212
2-[ethyl(2-hydroxypropyl)amino]propanenitrile
CID 131211886
2-[1-cyanobutan-2-yl(methyl)amino]-N-propan-2-ylacetamide
CID 55208590
2-[carbamoyl(ethyl)amino]-N-propan-2-ylacetamide
CID 60703127
N-[(1R)-1-cyanoethyl]-2-(dimethylamino)acetamide
CID 131089479

Frequently Asked Questions

What is the IUPAC name of 2-[1-cyanoethyl(ethyl)amino]-N-propan-2-ylacetamide?
The IUPAC name of 2-[1-cyanoethyl(ethyl)amino]-N-propan-2-ylacetamide (CID 60646285) is 2-[1-cyanoethyl(ethyl)amino]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[1-cyanoethyl(ethyl)amino]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[1-cyanoethyl(ethyl)amino]-N-propan-2-ylacetamide is CCN(CC(=O)NC(C)C)C(C)C#N.
What is the InChIKey of 2-[1-cyanoethyl(ethyl)amino]-N-propan-2-ylacetamide?
The InChIKey is RNUCQHLLPNZEIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O/c1-5-13(9(4)6-11)7-10(14)12-8(2)3/h8-9H,5,7H2,1-4H3,(H,12,14).
What are the key properties of 2-[1-cyanoethyl(ethyl)amino]-N-propan-2-ylacetamide?
2-[1-cyanoethyl(ethyl)amino]-N-propan-2-ylacetamide has a molecular weight of 197.28 g/mol, XLogP of 0.74, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-cyanoethyl(ethyl)amino]-N-propan-2-ylacetamide is sourced from PubChem (CID 60646285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).