2-[1-cyanobutan-2-yl(methyl)amino]-N-propan-2-ylacetamide

C11H21N3O — CID 55208590

IUPAC2-[1-cyanobutan-2-yl(methyl)amino]-N-propan-2-ylacetamide
SMILESCCC(CC#N)N(C)CC(=O)NC(C)C
InChIInChI=1S/C11H21N3O/c1-5-10(6-7-12)14(4)8-11(15)13-9(2)3/h9-10H,5-6,8H2,1-4H3,(H,13,15)
InChIKeyLLPUPJVDOXXIGD-UHFFFAOYSA-N
MW211.31 g/mol
LogP1.14
Rot. Bonds6

About 2-[1-cyanobutan-2-yl(methyl)amino]-N-propan-2-ylacetamide

2-[1-cyanobutan-2-yl(methyl)amino]-N-propan-2-ylacetamide (PubChem CID 55208590) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is 2-[1-cyanobutan-2-yl(methyl)amino]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[1-cyanobutan-2-yl(methyl)amino]-N-propan-2-ylacetamide
PubChem CID55208590
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC Name2-[1-cyanobutan-2-yl(methyl)amino]-N-propan-2-ylacetamide
SMILESCCC(CC#N)N(C)CC(=O)NC(C)C
InChIInChI=1S/C11H21N3O/c1-5-10(6-7-12)14(4)8-11(15)13-9(2)3/h9-10H,5-6,8H2,1-4H3,(H,13,15)
InChIKeyLLPUPJVDOXXIGD-UHFFFAOYSA-N
XLogP1.14
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 ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-cyanoethyl(methyl)amino]-N-propan-2-ylacetamide
CID 60670289
2-[cyanomethyl(methyl)amino]-N-propan-2-ylacetamide
CID 60677035
methyl 3-[1-cyanobutan-2-yl(methyl)amino]propanoate
CID 62013597
2-[1-cyanoethyl(methyl)amino]-N-pentan-3-ylacetamide
CID 55207660
2-[1-cyanopropan-2-yl(methyl)amino]-N-cyclopentylacetamide
CID 63228388
2-[1-cyanoethyl(ethyl)amino]-N-propan-2-ylacetamide
CID 60646285
2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]pentanoic acid
CID 83042024
2-[(5-hydrazinyl-5-oxopentan-2-yl)-methylamino]-N-propan-2-ylacetamide
CID 63585709
2-[[2-cyanoethyl(methyl)sulfamoyl]-methylamino]-N-propan-2-ylacetamide
CID 86928405
N-[(1R)-1-cyanoethyl]-2-(dimethylamino)acetamide
CID 131089479
3-[methyl(pentan-3-yl)amino]pentanenitrile
CID 43571085
2-[[1-(cyanomethyl)cyclopropyl]methyl-methylamino]-N-propan-2-ylacetamide
CID 65493215

Frequently Asked Questions

What is the IUPAC name of 2-[1-cyanobutan-2-yl(methyl)amino]-N-propan-2-ylacetamide?
The IUPAC name of 2-[1-cyanobutan-2-yl(methyl)amino]-N-propan-2-ylacetamide (CID 55208590) is 2-[1-cyanobutan-2-yl(methyl)amino]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[1-cyanobutan-2-yl(methyl)amino]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[1-cyanobutan-2-yl(methyl)amino]-N-propan-2-ylacetamide is CCC(CC#N)N(C)CC(=O)NC(C)C.
What is the InChIKey of 2-[1-cyanobutan-2-yl(methyl)amino]-N-propan-2-ylacetamide?
The InChIKey is LLPUPJVDOXXIGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O/c1-5-10(6-7-12)14(4)8-11(15)13-9(2)3/h9-10H,5-6,8H2,1-4H3,(H,13,15).
What are the key properties of 2-[1-cyanobutan-2-yl(methyl)amino]-N-propan-2-ylacetamide?
2-[1-cyanobutan-2-yl(methyl)amino]-N-propan-2-ylacetamide has a molecular weight of 211.31 g/mol, XLogP of 1.14, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-cyanobutan-2-yl(methyl)amino]-N-propan-2-ylacetamide is sourced from PubChem (CID 55208590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).