2-imino-N-methyl-4-methyliminobutanamide

C6H11N3O — CID 123446704

IUPAC2-imino-N-methyl-4-methyliminobutanamide
SMILES[H]/N=C(\C/C=N/C)C(=O)NC
InChIInChI=1S/C6H11N3O/c1-8-4-3-5(7)6(10)9-2/h4,7H,3H2,1-2H3,(H,9,10)/b7-5+,8-4+
InChIKeyWBQYRRITNMYWNA-JBVHCYJISA-N
MW141.17 g/mol
LogP-0.16
Rot. Bonds3

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

2-imino-N-methyl-4-methyliminobutanamide (PubChem CID 123446704) has the molecular formula C6H11N3O and a molecular weight of 141.17 g/mol. Its IUPAC name is 2-imino-N-methyl-4-methyliminobutanamide.

Molecular Properties

Compound Name2-imino-N-methyl-4-methyliminobutanamide
PubChem CID123446704
Molecular FormulaC6H11N3O
Molecular Weight141.17 g/mol
Exact Mass141.09
IUPAC Name2-imino-N-methyl-4-methyliminobutanamide
SMILES[H]/N=C(\C/C=N/C)C(=O)NC
InChIInChI=1S/C6H11N3O/c1-8-4-3-5(7)6(10)9-2/h4,7H,3H2,1-2H3,(H,9,10)/b7-5+,8-4+
InChIKeyWBQYRRITNMYWNA-JBVHCYJISA-N
XLogP-0.16
TPSA65.31 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 5-0.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 2-imino-N-methyl-4-methyliminobutanamide?
The IUPAC name of 2-imino-N-methyl-4-methyliminobutanamide (CID 123446704) is 2-imino-N-methyl-4-methyliminobutanamide.
What is the SMILES notation for 2-imino-N-methyl-4-methyliminobutanamide?
The canonical SMILES for 2-imino-N-methyl-4-methyliminobutanamide is [H]/N=C(\C/C=N/C)C(=O)NC.
What is the InChIKey of 2-imino-N-methyl-4-methyliminobutanamide?
The InChIKey is WBQYRRITNMYWNA-JBVHCYJISA-N. The full InChI is InChI=1S/C6H11N3O/c1-8-4-3-5(7)6(10)9-2/h4,7H,3H2,1-2H3,(H,9,10)/b7-5+,8-4+.
What are the key properties of 2-imino-N-methyl-4-methyliminobutanamide?
2-imino-N-methyl-4-methyliminobutanamide has a molecular weight of 141.17 g/mol, XLogP of -0.16, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imino-N-methyl-4-methyliminobutanamide is sourced from PubChem (CID 123446704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).