2-cyano-N-[2-(diethylamino)ethyl]-N-methylacetamide

C10H19N3O — CID 165346740

IUPAC2-cyano-N-[2-(diethylamino)ethyl]-N-methylacetamide
SMILESCCN(CC)CCN(C)C(=O)CC#N
InChIInChI=1S/C10H19N3O/c1-4-13(5-2)9-8-12(3)10(14)6-7-11/h4-6,8-9H2,1-3H3
InChIKeyZDQWIMBWOUXGSU-UHFFFAOYSA-N
MW197.28 g/mol
LogP0.70
Rot. Bonds6

About 2-cyano-N-[2-(diethylamino)ethyl]-N-methylacetamide

2-cyano-N-[2-(diethylamino)ethyl]-N-methylacetamide (PubChem CID 165346740) has the molecular formula C10H19N3O and a molecular weight of 197.28 g/mol. Its IUPAC name is 2-cyano-N-[2-(diethylamino)ethyl]-N-methylacetamide.

Molecular Properties

Compound Name2-cyano-N-[2-(diethylamino)ethyl]-N-methylacetamide
PubChem CID165346740
Molecular FormulaC10H19N3O
Molecular Weight197.28 g/mol
Exact Mass197.15
IUPAC Name2-cyano-N-[2-(diethylamino)ethyl]-N-methylacetamide
SMILESCCN(CC)CCN(C)C(=O)CC#N
InChIInChI=1S/C10H19N3O/c1-4-13(5-2)9-8-12(3)10(14)6-7-11/h4-6,8-9H2,1-3H3
InChIKeyZDQWIMBWOUXGSU-UHFFFAOYSA-N
XLogP0.70
TPSA47.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 50.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(diethylamino)ethyl-methylcarbamic acid;dihydrochloride
CID 143842500
2-cyano-N-(2-cyclopentylethyl)-N-methylacetamide
CID 115173391
2-[[2-[2-cyanoethyl(methyl)amino]-2-oxoethyl]-ethylamino]acetic acid
CID 61012153
N-(2-cyanoethyl)-N-methylpropanamide
CID 21036687
2-cyano-N-methyl-N-[2-(2,4,6-trimethylphenyl)ethyl]acetamide
CID 82130384
2-cyano-N-methyl-N-[(2,3,5,6-tetramethylphenyl)methyl]acetamide
CID 115173165
2-cyano-N-[4-(diethylamino)butyl]acetamide
CID 22689010
2-cyano-N-[2-(2-fluorophenyl)ethyl]-N-methylacetamide
CID 82127602
N-(2-cyanoethyl)-2-[2-cyanopropyl(ethyl)amino]-N-methylacetamide
CID 54983448
cyanic acid;N,N-diethylethanamine
CID 14848642
N-(2-cyanoethyl)-3-[2-cyanopropyl(ethyl)amino]-N-methylpropanamide
CID 54988279
2-cyano-N-[2-[ethyl(propyl)amino]ethyl]acetamide
CID 104919958

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[2-(diethylamino)ethyl]-N-methylacetamide?
The IUPAC name of 2-cyano-N-[2-(diethylamino)ethyl]-N-methylacetamide (CID 165346740) is 2-cyano-N-[2-(diethylamino)ethyl]-N-methylacetamide.
What is the SMILES notation for 2-cyano-N-[2-(diethylamino)ethyl]-N-methylacetamide?
The canonical SMILES for 2-cyano-N-[2-(diethylamino)ethyl]-N-methylacetamide is CCN(CC)CCN(C)C(=O)CC#N.
What is the InChIKey of 2-cyano-N-[2-(diethylamino)ethyl]-N-methylacetamide?
The InChIKey is ZDQWIMBWOUXGSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O/c1-4-13(5-2)9-8-12(3)10(14)6-7-11/h4-6,8-9H2,1-3H3.
What are the key properties of 2-cyano-N-[2-(diethylamino)ethyl]-N-methylacetamide?
2-cyano-N-[2-(diethylamino)ethyl]-N-methylacetamide has a molecular weight of 197.28 g/mol, XLogP of 0.70, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[2-(diethylamino)ethyl]-N-methylacetamide is sourced from PubChem (CID 165346740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).