N-(diaminomethylidene)-2-methylpropanamide

C5H11N3O — CID 22720162

IUPACN-(diaminomethylidene)-2-methylpropanamide
SMILESCC(C)C(=O)N=C(N)N
InChIInChI=1S/C5H11N3O/c1-3(2)4(9)8-5(6)7/h3H,1-2H3,(H4,6,7,8,9)
InChIKeyMYARTQQGNKCVFR-UHFFFAOYSA-N
MW129.16 g/mol
LogP-0.56
Rot. Bonds1

About N-(diaminomethylidene)-2-methylpropanamide

N-(diaminomethylidene)-2-methylpropanamide (PubChem CID 22720162) has the molecular formula C5H11N3O and a molecular weight of 129.16 g/mol. Its IUPAC name is N-(diaminomethylidene)-2-methylpropanamide.

Molecular Properties

Compound NameN-(diaminomethylidene)-2-methylpropanamide
PubChem CID22720162
Molecular FormulaC5H11N3O
Molecular Weight129.16 g/mol
Exact Mass129.09
IUPAC NameN-(diaminomethylidene)-2-methylpropanamide
SMILESCC(C)C(=O)N=C(N)N
InChIInChI=1S/C5H11N3O/c1-3(2)4(9)8-5(6)7/h3H,1-2H3,(H4,6,7,8,9)
InChIKeyMYARTQQGNKCVFR-UHFFFAOYSA-N
XLogP-0.56
TPSA81.47 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.16
LogP ≤ 5-0.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(diaminomethylidene)-2-methylpropanamide?
The IUPAC name of N-(diaminomethylidene)-2-methylpropanamide (CID 22720162) is N-(diaminomethylidene)-2-methylpropanamide.
What is the SMILES notation for N-(diaminomethylidene)-2-methylpropanamide?
The canonical SMILES for N-(diaminomethylidene)-2-methylpropanamide is CC(C)C(=O)N=C(N)N.
What is the InChIKey of N-(diaminomethylidene)-2-methylpropanamide?
The InChIKey is MYARTQQGNKCVFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N3O/c1-3(2)4(9)8-5(6)7/h3H,1-2H3,(H4,6,7,8,9).
What are the key properties of N-(diaminomethylidene)-2-methylpropanamide?
N-(diaminomethylidene)-2-methylpropanamide has a molecular weight of 129.16 g/mol, XLogP of -0.56, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(diaminomethylidene)-2-methylpropanamide is sourced from PubChem (CID 22720162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).