N-imino-2-methyl-4-methyliminobutanamide

C6H11N3O — CID 123488786

IUPACN-imino-2-methyl-4-methyliminobutanamide
SMILES[H]/N=N/C(=O)C(C)C/C=N/C
InChIInChI=1S/C6H11N3O/c1-5(3-4-8-2)6(10)9-7/h4-5,7H,3H2,1-2H3/b8-4+,9-7+
InChIKeyZMNAZWHEYMRQME-QDJBHUIFSA-N
MW141.17 g/mol
LogP1.27
Rot. Bonds3

About N-imino-2-methyl-4-methyliminobutanamide

N-imino-2-methyl-4-methyliminobutanamide (PubChem CID 123488786) has the molecular formula C6H11N3O and a molecular weight of 141.17 g/mol. Its IUPAC name is N-imino-2-methyl-4-methyliminobutanamide.

Molecular Properties

Compound NameN-imino-2-methyl-4-methyliminobutanamide
PubChem CID123488786
Molecular FormulaC6H11N3O
Molecular Weight141.17 g/mol
Exact Mass141.09
IUPAC NameN-imino-2-methyl-4-methyliminobutanamide
SMILES[H]/N=N/C(=O)C(C)C/C=N/C
InChIInChI=1S/C6H11N3O/c1-5(3-4-8-2)6(10)9-7/h4-5,7H,3H2,1-2H3/b8-4+,9-7+
InChIKeyZMNAZWHEYMRQME-QDJBHUIFSA-N
XLogP1.27
TPSA65.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-imino-2-methyl-4-methyliminobutanamide?
The IUPAC name of N-imino-2-methyl-4-methyliminobutanamide (CID 123488786) is N-imino-2-methyl-4-methyliminobutanamide.
What is the SMILES notation for N-imino-2-methyl-4-methyliminobutanamide?
The canonical SMILES for N-imino-2-methyl-4-methyliminobutanamide is [H]/N=N/C(=O)C(C)C/C=N/C.
What is the InChIKey of N-imino-2-methyl-4-methyliminobutanamide?
The InChIKey is ZMNAZWHEYMRQME-QDJBHUIFSA-N. The full InChI is InChI=1S/C6H11N3O/c1-5(3-4-8-2)6(10)9-7/h4-5,7H,3H2,1-2H3/b8-4+,9-7+.
What are the key properties of N-imino-2-methyl-4-methyliminobutanamide?
N-imino-2-methyl-4-methyliminobutanamide has a molecular weight of 141.17 g/mol, XLogP of 1.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-imino-2-methyl-4-methyliminobutanamide is sourced from PubChem (CID 123488786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).