2-[cyanomethyl(methyl)amino]-N-propan-2-ylacetamide

C8H15N3O — CID 60677035

IUPAC2-[cyanomethyl(methyl)amino]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CN(C)CC#N
InChIInChI=1S/C8H15N3O/c1-7(2)10-8(12)6-11(3)5-4-9/h7H,5-6H2,1-3H3,(H,10,12)
InChIKeyIXTPGZYNVLWHJV-UHFFFAOYSA-N
MW169.23 g/mol
LogP-0.03
Rot. Bonds4

About 2-[cyanomethyl(methyl)amino]-N-propan-2-ylacetamide

2-[cyanomethyl(methyl)amino]-N-propan-2-ylacetamide (PubChem CID 60677035) has the molecular formula C8H15N3O and a molecular weight of 169.23 g/mol. Its IUPAC name is 2-[cyanomethyl(methyl)amino]-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[cyanomethyl(methyl)amino]-N-propan-2-ylacetamide
PubChem CID60677035
Molecular FormulaC8H15N3O
Molecular Weight169.23 g/mol
Exact Mass169.12
IUPAC Name2-[cyanomethyl(methyl)amino]-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CN(C)CC#N
InChIInChI=1S/C8H15N3O/c1-7(2)10-8(12)6-11(3)5-4-9/h7H,5-6H2,1-3H3,(H,10,12)
InChIKeyIXTPGZYNVLWHJV-UHFFFAOYSA-N
XLogP-0.03
TPSA56.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.23
LogP ≤ 5-0.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanamide', 'substructure': 'N/A'}

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Related Compounds

2-[[1-(cyanomethyl)cyclopropyl]methyl-methylamino]-N-propan-2-ylacetamide
CID 65493215
2-[1-cyanoethyl(methyl)amino]-N-propan-2-ylacetamide
CID 60670289
2-[cyanomethyl(methyl)amino]-N-cyclopropylacetamide
CID 60677002
2-[1-cyanobutan-2-yl(methyl)amino]-N-propan-2-ylacetamide
CID 55208590
2-[(4-cyanophenyl)methyl-methylamino]-N-propan-2-ylacetamide
CID 8912475
2-[[2-(tert-butylamino)-2-oxoethyl]-methylamino]-N-propan-2-ylacetamide
CID 86908596
2-[[2-cyanoethyl(methyl)sulfamoyl]-methylamino]-N-propan-2-ylacetamide
CID 86928405
2-[1-cyanoethyl(ethyl)amino]-N-propan-2-ylacetamide
CID 60646285
N-[2-(cyanomethylsulfanyl)phenyl]-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]acetamide
CID 9050056
2-[cyanomethyl(methyl)amino]-N-(3-methoxypropyl)acetamide
CID 60715078
2-[cyanomethyl(methyl)amino]-N-(2-methylsulfanylphenyl)acetamide
CID 38214269
2-[benzyl(methyl)amino]-N-propan-2-ylacetamide
CID 54808895

Frequently Asked Questions

What is the IUPAC name of 2-[cyanomethyl(methyl)amino]-N-propan-2-ylacetamide?
The IUPAC name of 2-[cyanomethyl(methyl)amino]-N-propan-2-ylacetamide (CID 60677035) is 2-[cyanomethyl(methyl)amino]-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[cyanomethyl(methyl)amino]-N-propan-2-ylacetamide?
The canonical SMILES for 2-[cyanomethyl(methyl)amino]-N-propan-2-ylacetamide is CC(C)NC(=O)CN(C)CC#N.
What is the InChIKey of 2-[cyanomethyl(methyl)amino]-N-propan-2-ylacetamide?
The InChIKey is IXTPGZYNVLWHJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O/c1-7(2)10-8(12)6-11(3)5-4-9/h7H,5-6H2,1-3H3,(H,10,12).
What are the key properties of 2-[cyanomethyl(methyl)amino]-N-propan-2-ylacetamide?
2-[cyanomethyl(methyl)amino]-N-propan-2-ylacetamide has a molecular weight of 169.23 g/mol, XLogP of -0.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyanomethyl(methyl)amino]-N-propan-2-ylacetamide is sourced from PubChem (CID 60677035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).