2-[(3-cyano-3-methylbutyl)-methylamino]-N-ethylacetamide

C11H21N3O — CID 65251211

IUPAC2-[(3-cyano-3-methylbutyl)-methylamino]-N-ethylacetamide
SMILESCCNC(=O)CN(C)CCC(C)(C)C#N
InChIInChI=1S/C11H21N3O/c1-5-13-10(15)8-14(4)7-6-11(2,3)9-12/h5-8H2,1-4H3,(H,13,15)
InChIKeyUDLFQTXYQZCCOP-UHFFFAOYSA-N
MW211.31 g/mol
LogP0.99
Rot. Bonds6

About 2-[(3-cyano-3-methylbutyl)-methylamino]-N-ethylacetamide

2-[(3-cyano-3-methylbutyl)-methylamino]-N-ethylacetamide (PubChem CID 65251211) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is 2-[(3-cyano-3-methylbutyl)-methylamino]-N-ethylacetamide.

Molecular Properties

Compound Name2-[(3-cyano-3-methylbutyl)-methylamino]-N-ethylacetamide
PubChem CID65251211
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC Name2-[(3-cyano-3-methylbutyl)-methylamino]-N-ethylacetamide
SMILESCCNC(=O)CN(C)CCC(C)(C)C#N
InChIInChI=1S/C11H21N3O/c1-5-13-10(15)8-14(4)7-6-11(2,3)9-12/h5-8H2,1-4H3,(H,13,15)
InChIKeyUDLFQTXYQZCCOP-UHFFFAOYSA-N
XLogP0.99
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-cyano-3-methylbutyl)-methylamino]acetamide
CID 65251652
N-ethyl-2-[ethyl(methyl)amino]acetamide;hydrochloride
CID 130736747
N-[2-(ethylamino)-2-oxoethyl]-N,2,2-trimethylpropanamide
CID 61150518
3-[(3-cyano-3-methylbutyl)-methylamino]-2-methylpropanoic acid
CID 65250665
2-cyano-N-ethyl-N-[2-(ethylamino)-2-oxoethyl]-2-methylpropanamide
CID 61061252
methyl 3-[[2-(ethylamino)-2-oxoethyl]-methylamino]-2,2-dimethylpropanoate
CID 79619789
2-[2-(2-cyanophenoxy)ethyl-methylamino]-N-ethylacetamide
CID 61221683
2-[[2-(4-cyanophenyl)-2-oxoethyl]-methylamino]-N-ethylacetamide
CID 62035144
4-(diethylamino)-2,2-dimethylbutanenitrile
CID 65251314
2-[3,3-dimethylbutyl(methyl)amino]-N-(2-methoxyethyl)acetamide;ethane
CID 177054890
2-[[[2-(ethylamino)-2-oxoethyl]-methylcarbamoyl]-methylamino]-2-methylpropanoic acid
CID 55123997
2-[2-cyanoethyl(methyl)amino]-N-(2-hydroxyethyl)acetamide
CID 43509540

Frequently Asked Questions

What is the IUPAC name of 2-[(3-cyano-3-methylbutyl)-methylamino]-N-ethylacetamide?
The IUPAC name of 2-[(3-cyano-3-methylbutyl)-methylamino]-N-ethylacetamide (CID 65251211) is 2-[(3-cyano-3-methylbutyl)-methylamino]-N-ethylacetamide.
What is the SMILES notation for 2-[(3-cyano-3-methylbutyl)-methylamino]-N-ethylacetamide?
The canonical SMILES for 2-[(3-cyano-3-methylbutyl)-methylamino]-N-ethylacetamide is CCNC(=O)CN(C)CCC(C)(C)C#N.
What is the InChIKey of 2-[(3-cyano-3-methylbutyl)-methylamino]-N-ethylacetamide?
The InChIKey is UDLFQTXYQZCCOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O/c1-5-13-10(15)8-14(4)7-6-11(2,3)9-12/h5-8H2,1-4H3,(H,13,15).
What are the key properties of 2-[(3-cyano-3-methylbutyl)-methylamino]-N-ethylacetamide?
2-[(3-cyano-3-methylbutyl)-methylamino]-N-ethylacetamide has a molecular weight of 211.31 g/mol, XLogP of 0.99, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-cyano-3-methylbutyl)-methylamino]-N-ethylacetamide is sourced from PubChem (CID 65251211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).