2-[2-cyanopropyl(ethyl)amino]-N,N-dimethylacetamide

C10H19N3O — CID 61450794

IUPAC2-[2-cyanopropyl(ethyl)amino]-N,N-dimethylacetamide
SMILESCCN(CC(=O)N(C)C)CC(C)C#N
InChIInChI=1S/C10H19N3O/c1-5-13(7-9(2)6-11)8-10(14)12(3)4/h9H,5,7-8H2,1-4H3
InChIKeyLAZFINNDOCGEIZ-UHFFFAOYSA-N
MW197.28 g/mol
LogP0.56
Rot. Bonds5

About 2-[2-cyanopropyl(ethyl)amino]-N,N-dimethylacetamide

2-[2-cyanopropyl(ethyl)amino]-N,N-dimethylacetamide (PubChem CID 61450794) has the molecular formula C10H19N3O and a molecular weight of 197.28 g/mol. Its IUPAC name is 2-[2-cyanopropyl(ethyl)amino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[2-cyanopropyl(ethyl)amino]-N,N-dimethylacetamide
PubChem CID61450794
Molecular FormulaC10H19N3O
Molecular Weight197.28 g/mol
Exact Mass197.15
IUPAC Name2-[2-cyanopropyl(ethyl)amino]-N,N-dimethylacetamide
SMILESCCN(CC(=O)N(C)C)CC(C)C#N
InChIInChI=1S/C10H19N3O/c1-5-13(7-9(2)6-11)8-10(14)12(3)4/h9H,5,7-8H2,1-4H3
InChIKeyLAZFINNDOCGEIZ-UHFFFAOYSA-N
XLogP0.56
TPSA47.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 50.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-cyanopropyl(ethyl)amino]-N,N-diethylacetamide
CID 60585362
N-(2-cyanoethyl)-2-[2-cyanopropyl(ethyl)amino]-N-methylacetamide
CID 54983448
N-benzyl-2-[[(2R)-2-cyanopropyl]-ethylamino]-N-methylacetamide
CID 52747596
2-[2-cyanopropyl(ethyl)amino]-N-pentan-3-ylacetamide
CID 54979648
1-(2-cyanopropyl)-1,3,3-trimethylurea
CID 78969861
N-(2-cyanoethyl)-3-[2-cyanopropyl(ethyl)amino]-N-methylpropanamide
CID 54988279
3-[[2-(4-chlorophenyl)-2-oxoethyl]-ethylamino]-2-methylpropanenitrile
CID 62036012
4-[2-[2-cyanopropyl(ethyl)amino]acetyl]benzonitrile
CID 62034878
3-[3-(dimethylamino)propyl-ethylamino]-2-methylpropanenitrile
CID 115630903
3-[[2-(2,5-dimethylphenyl)-2-oxoethyl]-ethylamino]-2-methylpropanenitrile
CID 62036198
2-[2-cyanopropyl(ethyl)amino]-N-(2-methoxyphenyl)acetamide
CID 60674387
3-[ethyl-[2-(propylaminomethyl)prop-2-enyl]amino]-2-methylpropanenitrile
CID 103069947

Frequently Asked Questions

What is the IUPAC name of 2-[2-cyanopropyl(ethyl)amino]-N,N-dimethylacetamide?
The IUPAC name of 2-[2-cyanopropyl(ethyl)amino]-N,N-dimethylacetamide (CID 61450794) is 2-[2-cyanopropyl(ethyl)amino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[2-cyanopropyl(ethyl)amino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[2-cyanopropyl(ethyl)amino]-N,N-dimethylacetamide is CCN(CC(=O)N(C)C)CC(C)C#N.
What is the InChIKey of 2-[2-cyanopropyl(ethyl)amino]-N,N-dimethylacetamide?
The InChIKey is LAZFINNDOCGEIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O/c1-5-13(7-9(2)6-11)8-10(14)12(3)4/h9H,5,7-8H2,1-4H3.
What are the key properties of 2-[2-cyanopropyl(ethyl)amino]-N,N-dimethylacetamide?
2-[2-cyanopropyl(ethyl)amino]-N,N-dimethylacetamide has a molecular weight of 197.28 g/mol, XLogP of 0.56, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-cyanopropyl(ethyl)amino]-N,N-dimethylacetamide is sourced from PubChem (CID 61450794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).