2-(butan-2-ylamino)-N-(2-cyanoethyl)-N-ethylacetamide

C11H21N3O — CID 60954185

IUPAC2-(butan-2-ylamino)-N-(2-cyanoethyl)-N-ethylacetamide
SMILESCCC(C)NCC(=O)N(CC)CCC#N
InChIInChI=1S/C11H21N3O/c1-4-10(3)13-9-11(15)14(5-2)8-6-7-12/h10,13H,4-6,8-9H2,1-3H3
InChIKeyNLBJUPJYCBCZQH-UHFFFAOYSA-N
MW211.31 g/mol
LogP1.14
Rot. Bonds7

About 2-(butan-2-ylamino)-N-(2-cyanoethyl)-N-ethylacetamide

2-(butan-2-ylamino)-N-(2-cyanoethyl)-N-ethylacetamide (PubChem CID 60954185) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is 2-(butan-2-ylamino)-N-(2-cyanoethyl)-N-ethylacetamide.

Molecular Properties

Compound Name2-(butan-2-ylamino)-N-(2-cyanoethyl)-N-ethylacetamide
PubChem CID60954185
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC Name2-(butan-2-ylamino)-N-(2-cyanoethyl)-N-ethylacetamide
SMILESCCC(C)NCC(=O)N(CC)CCC#N
InChIInChI=1S/C11H21N3O/c1-4-10(3)13-9-11(15)14(5-2)8-6-7-12/h10,13H,4-6,8-9H2,1-3H3
InChIKeyNLBJUPJYCBCZQH-UHFFFAOYSA-N
XLogP1.14
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(butan-2-ylamino)-N-(2-cyanoethyl)-N-ethylacetamide?
The IUPAC name of 2-(butan-2-ylamino)-N-(2-cyanoethyl)-N-ethylacetamide (CID 60954185) is 2-(butan-2-ylamino)-N-(2-cyanoethyl)-N-ethylacetamide.
What is the SMILES notation for 2-(butan-2-ylamino)-N-(2-cyanoethyl)-N-ethylacetamide?
The canonical SMILES for 2-(butan-2-ylamino)-N-(2-cyanoethyl)-N-ethylacetamide is CCC(C)NCC(=O)N(CC)CCC#N.
What is the InChIKey of 2-(butan-2-ylamino)-N-(2-cyanoethyl)-N-ethylacetamide?
The InChIKey is NLBJUPJYCBCZQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O/c1-4-10(3)13-9-11(15)14(5-2)8-6-7-12/h10,13H,4-6,8-9H2,1-3H3.
What are the key properties of 2-(butan-2-ylamino)-N-(2-cyanoethyl)-N-ethylacetamide?
2-(butan-2-ylamino)-N-(2-cyanoethyl)-N-ethylacetamide has a molecular weight of 211.31 g/mol, XLogP of 1.14, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(butan-2-ylamino)-N-(2-cyanoethyl)-N-ethylacetamide is sourced from PubChem (CID 60954185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).