2-[cyanomethyl(methyl)amino]butanamide

C7H13N3O — CID 62900421

IUPAC2-[cyanomethyl(methyl)amino]butanamide
SMILESCCC(C(N)=O)N(C)CC#N
InChIInChI=1S/C7H13N3O/c1-3-6(7(9)11)10(2)5-4-8/h6H,3,5H2,1-2H3,(H2,9,11)
InChIKeyVWNGHRSEYLTYSA-UHFFFAOYSA-N
MW155.20 g/mol
LogP-0.29
Rot. Bonds4

About 2-[cyanomethyl(methyl)amino]butanamide

2-[cyanomethyl(methyl)amino]butanamide (PubChem CID 62900421) has the molecular formula C7H13N3O and a molecular weight of 155.20 g/mol. Its IUPAC name is 2-[cyanomethyl(methyl)amino]butanamide.

Molecular Properties

Compound Name2-[cyanomethyl(methyl)amino]butanamide
PubChem CID62900421
Molecular FormulaC7H13N3O
Molecular Weight155.20 g/mol
Exact Mass155.11
IUPAC Name2-[cyanomethyl(methyl)amino]butanamide
SMILESCCC(C(N)=O)N(C)CC#N
InChIInChI=1S/C7H13N3O/c1-3-6(7(9)11)10(2)5-4-8/h6H,3,5H2,1-2H3,(H2,9,11)
InChIKeyVWNGHRSEYLTYSA-UHFFFAOYSA-N
XLogP-0.29
TPSA70.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 5-0.29
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

ethyl 2-[cyanomethyl(methyl)amino]butanoate
CID 64660730
2-[methyl(propyl)amino]butanamide
CID 62900463
2-[2-hydroxypropyl(methyl)amino]butanamide
CID 62901231
2-[2-methoxyethyl(methyl)amino]butanamide
CID 62900283
ethyl 2-[bis(cyanomethyl)amino]butanoate
CID 64661054
2-[methyl(2-methylsulfonylethyl)amino]butanamide
CID 78924974
2-[(3-hydroxypyrrolidin-3-yl)methyl-methylamino]butanamide
CID 114761362
methyl 3-[(1-amino-1-oxobutan-2-yl)-methylamino]-2-methylpropanoate
CID 62900263
2-[cyclopentylmethyl(methyl)amino]butanamide
CID 62923981
2-[1-(dimethylamino)propyl-methylamino]acetonitrile
CID 141002241
2-[2-cyanoethyl(methyl)amino]butanoic acid
CID 43808967
2-[methyl-[(2-methylphenyl)methyl]amino]butanamide
CID 55211748

Frequently Asked Questions

What is the IUPAC name of 2-[cyanomethyl(methyl)amino]butanamide?
The IUPAC name of 2-[cyanomethyl(methyl)amino]butanamide (CID 62900421) is 2-[cyanomethyl(methyl)amino]butanamide.
What is the SMILES notation for 2-[cyanomethyl(methyl)amino]butanamide?
The canonical SMILES for 2-[cyanomethyl(methyl)amino]butanamide is CCC(C(N)=O)N(C)CC#N.
What is the InChIKey of 2-[cyanomethyl(methyl)amino]butanamide?
The InChIKey is VWNGHRSEYLTYSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O/c1-3-6(7(9)11)10(2)5-4-8/h6H,3,5H2,1-2H3,(H2,9,11).
What are the key properties of 2-[cyanomethyl(methyl)amino]butanamide?
2-[cyanomethyl(methyl)amino]butanamide has a molecular weight of 155.20 g/mol, XLogP of -0.29, 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]butanamide is sourced from PubChem (CID 62900421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).