4-imino-2-methylbutanamide

C5H10N2O — CID 174442854

IUPAC4-imino-2-methylbutanamide
SMILES[H]/N=C/CC(C)C(N)=O
InChIInChI=1S/C5H10N2O/c1-4(2-3-6)5(7)8/h3-4,6H,2H2,1H3,(H2,7,8)/b6-3+
InChIKeyPEYYIKIAAPGJMO-ZZXKWVIFSA-N
MW114.15 g/mol
LogP0.15
Rot. Bonds3

About 4-imino-2-methylbutanamide

4-imino-2-methylbutanamide (PubChem CID 174442854) has the molecular formula C5H10N2O and a molecular weight of 114.15 g/mol. Its IUPAC name is 4-imino-2-methylbutanamide.

Molecular Properties

Compound Name4-imino-2-methylbutanamide
PubChem CID174442854
Molecular FormulaC5H10N2O
Molecular Weight114.15 g/mol
Exact Mass114.08
IUPAC Name4-imino-2-methylbutanamide
SMILES[H]/N=C/CC(C)C(N)=O
InChIInChI=1S/C5H10N2O/c1-4(2-3-6)5(7)8/h3-4,6H,2H2,1H3,(H2,7,8)/b6-3+
InChIKeyPEYYIKIAAPGJMO-ZZXKWVIFSA-N
XLogP0.15
TPSA66.94 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.15
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-imino-2-methylbutanamide?
The IUPAC name of 4-imino-2-methylbutanamide (CID 174442854) is 4-imino-2-methylbutanamide.
What is the SMILES notation for 4-imino-2-methylbutanamide?
The canonical SMILES for 4-imino-2-methylbutanamide is [H]/N=C/CC(C)C(N)=O.
What is the InChIKey of 4-imino-2-methylbutanamide?
The InChIKey is PEYYIKIAAPGJMO-ZZXKWVIFSA-N. The full InChI is InChI=1S/C5H10N2O/c1-4(2-3-6)5(7)8/h3-4,6H,2H2,1H3,(H2,7,8)/b6-3+.
What are the key properties of 4-imino-2-methylbutanamide?
4-imino-2-methylbutanamide has a molecular weight of 114.15 g/mol, XLogP of 0.15, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-imino-2-methylbutanamide is sourced from PubChem (CID 174442854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).