4-amino-N-(2-cyanoethyl)-3-methyl-N-propan-2-ylbutanamide

C11H21N3O — CID 81071767

IUPAC4-amino-N-(2-cyanoethyl)-3-methyl-N-propan-2-ylbutanamide
SMILESCC(CN)CC(=O)N(CCC#N)C(C)C
InChIInChI=1S/C11H21N3O/c1-9(2)14(6-4-5-12)11(15)7-10(3)8-13/h9-10H,4,6-8,13H2,1-3H3
InChIKeyXQBWJRATAGQINB-UHFFFAOYSA-N
MW211.31 g/mol
LogP1.12
Rot. Bonds6

About 4-amino-N-(2-cyanoethyl)-3-methyl-N-propan-2-ylbutanamide

4-amino-N-(2-cyanoethyl)-3-methyl-N-propan-2-ylbutanamide (PubChem CID 81071767) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is 4-amino-N-(2-cyanoethyl)-3-methyl-N-propan-2-ylbutanamide.

Molecular Properties

Compound Name4-amino-N-(2-cyanoethyl)-3-methyl-N-propan-2-ylbutanamide
PubChem CID81071767
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC Name4-amino-N-(2-cyanoethyl)-3-methyl-N-propan-2-ylbutanamide
SMILESCC(CN)CC(=O)N(CCC#N)C(C)C
InChIInChI=1S/C11H21N3O/c1-9(2)14(6-4-5-12)11(15)7-10(3)8-13/h9-10H,4,6-8,13H2,1-3H3
InChIKeyXQBWJRATAGQINB-UHFFFAOYSA-N
XLogP1.12
TPSA70.12 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 ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-amino-N-(2-cyanoethyl)-3-methyl-N-propan-2-ylbutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-amino-N,N-bis(2-cyanoethyl)-3-methylbutanamide
CID 81087572
4-amino-N-(2-methoxyethyl)-3-methyl-N-propan-2-ylbutanamide
CID 82948012
5-amino-N-(2-cyanoethyl)-N,4-dimethylpentanamide
CID 82017217
2-(1-aminocyclopentyl)-N-(2-cyanoethyl)-N-propan-2-ylacetamide
CID 64685385
N-(2-cyanoethyl)-N-propan-2-yl-2-sulfanylpropanamide
CID 107026385
1-(aminomethyl)-N-(2-cyanoethyl)-N-propan-2-ylcyclopropane-1-carboxamide
CID 115452269
N-(2-cyanoethyl)-4-(methylamino)-N-propan-2-ylbutanamide
CID 60841146
N-(2-cyanoethyl)-2-phenoxy-N-propan-2-ylacetamide
CID 60977397
N-(2-cyanoethyl)-N-propan-2-yl-2-(prop-2-enylamino)acetamide
CID 79286034
N-(2-cyanoethyl)-N-propan-2-yl-2-[1-(sulfanylmethyl)cyclopropyl]acetamide
CID 107026383
4-(aminomethyl)-N-(2-cyanoethyl)-N-propan-2-ylcyclohexane-1-carboxamide
CID 79526805
4-amino-N-(3-cyanopropyl)-3-methylbutanamide
CID 81080393

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-cyanoethyl)-3-methyl-N-propan-2-ylbutanamide?
The IUPAC name of 4-amino-N-(2-cyanoethyl)-3-methyl-N-propan-2-ylbutanamide (CID 81071767) is 4-amino-N-(2-cyanoethyl)-3-methyl-N-propan-2-ylbutanamide.
What is the SMILES notation for 4-amino-N-(2-cyanoethyl)-3-methyl-N-propan-2-ylbutanamide?
The canonical SMILES for 4-amino-N-(2-cyanoethyl)-3-methyl-N-propan-2-ylbutanamide is CC(CN)CC(=O)N(CCC#N)C(C)C.
What is the InChIKey of 4-amino-N-(2-cyanoethyl)-3-methyl-N-propan-2-ylbutanamide?
The InChIKey is XQBWJRATAGQINB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O/c1-9(2)14(6-4-5-12)11(15)7-10(3)8-13/h9-10H,4,6-8,13H2,1-3H3.
What are the key properties of 4-amino-N-(2-cyanoethyl)-3-methyl-N-propan-2-ylbutanamide?
4-amino-N-(2-cyanoethyl)-3-methyl-N-propan-2-ylbutanamide has a molecular weight of 211.31 g/mol, XLogP of 1.12, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-cyanoethyl)-3-methyl-N-propan-2-ylbutanamide is sourced from PubChem (CID 81071767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).