2-[1-cyanoethyl(methyl)amino]-N-pentan-3-ylacetamide

C11H21N3O — CID 55207660

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

About 2-[1-cyanoethyl(methyl)amino]-N-pentan-3-ylacetamide

2-[1-cyanoethyl(methyl)amino]-N-pentan-3-ylacetamide (PubChem CID 55207660) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is 2-[1-cyanoethyl(methyl)amino]-N-pentan-3-ylacetamide.

Molecular Properties

Compound Name2-[1-cyanoethyl(methyl)amino]-N-pentan-3-ylacetamide
PubChem CID55207660
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC Name2-[1-cyanoethyl(methyl)amino]-N-pentan-3-ylacetamide
SMILESCCC(CC)NC(=O)CN(C)C(C)C#N
InChIInChI=1S/C11H21N3O/c1-5-10(6-2)13-11(15)8-14(4)9(3)7-12/h9-10H,5-6,8H2,1-4H3,(H,13,15)
InChIKeyNSNXPDYJLRISKB-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-[2-cyanopropyl(ethyl)amino]-N-pentan-3-ylacetamide
CID 54979648
2-[1-cyanoethyl(methyl)amino]-N-cyclopropylacetamide
CID 60670090
2-[1-cyanoethyl(ethyl)amino]-N-propan-2-ylacetamide
CID 60646285
2-[1-cyanobutan-2-yl(methyl)amino]-N-propan-2-ylacetamide
CID 55208590
N-[(1R)-1-cyanoethyl]-2-(dimethylamino)acetamide
CID 131089479
2-[2-aminoethyl(methyl)amino]-N-pentan-3-ylacetamide
CID 61486750
2-[butan-2-yl-[2-oxo-2-(pentan-3-ylamino)ethyl]amino]acetic acid
CID 54957365
3-[ethyl-[2-oxo-2-(pentan-3-ylamino)ethyl]amino]butanoic acid
CID 62825847
3-hydroxy-N-pentan-3-ylpropanamide
CID 57208434
N-butan-2-yl-2-[1-hydroxypropan-2-yl(methyl)amino]acetamide
CID 115877326
N-(4-bromo-2-methylphenyl)-2-[[(1S)-1-cyanoethyl]-methylamino]acetamide
CID 9303278

Frequently Asked Questions

What is the IUPAC name of 2-[1-cyanoethyl(methyl)amino]-N-pentan-3-ylacetamide?
The IUPAC name of 2-[1-cyanoethyl(methyl)amino]-N-pentan-3-ylacetamide (CID 55207660) is 2-[1-cyanoethyl(methyl)amino]-N-pentan-3-ylacetamide.
What is the SMILES notation for 2-[1-cyanoethyl(methyl)amino]-N-pentan-3-ylacetamide?
The canonical SMILES for 2-[1-cyanoethyl(methyl)amino]-N-pentan-3-ylacetamide is CCC(CC)NC(=O)CN(C)C(C)C#N.
What is the InChIKey of 2-[1-cyanoethyl(methyl)amino]-N-pentan-3-ylacetamide?
The InChIKey is NSNXPDYJLRISKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O/c1-5-10(6-2)13-11(15)8-14(4)9(3)7-12/h9-10H,5-6,8H2,1-4H3,(H,13,15).
What are the key properties of 2-[1-cyanoethyl(methyl)amino]-N-pentan-3-ylacetamide?
2-[1-cyanoethyl(methyl)amino]-N-pentan-3-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-cyanoethyl(methyl)amino]-N-pentan-3-ylacetamide is sourced from PubChem (CID 55207660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).