N-(1,2-diaminoethylidene)-2-methylpropanamide

C6H13N3O — CID 170687883

IUPACN-(1,2-diaminoethylidene)-2-methylpropanamide
SMILESCC(C)C(=O)/N=C(/N)CN
InChIInChI=1S/C6H13N3O/c1-4(2)6(10)9-5(8)3-7/h4H,3,7H2,1-2H3,(H2,8,9,10)
InChIKeyPUCKFIYMGJVAIB-UHFFFAOYSA-N
MW143.19 g/mol
LogP-0.52
Rot. Bonds2

About N-(1,2-diaminoethylidene)-2-methylpropanamide

N-(1,2-diaminoethylidene)-2-methylpropanamide (PubChem CID 170687883) has the molecular formula C6H13N3O and a molecular weight of 143.19 g/mol. Its IUPAC name is N-(1,2-diaminoethylidene)-2-methylpropanamide.

Molecular Properties

Compound NameN-(1,2-diaminoethylidene)-2-methylpropanamide
PubChem CID170687883
Molecular FormulaC6H13N3O
Molecular Weight143.19 g/mol
Exact Mass143.11
IUPAC NameN-(1,2-diaminoethylidene)-2-methylpropanamide
SMILESCC(C)C(=O)/N=C(/N)CN
InChIInChI=1S/C6H13N3O/c1-4(2)6(10)9-5(8)3-7/h4H,3,7H2,1-2H3,(H2,8,9,10)
InChIKeyPUCKFIYMGJVAIB-UHFFFAOYSA-N
XLogP-0.52
TPSA81.47 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 5-0.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-(1,2-diaminoethylidene)-2-methylpropanamide?
The IUPAC name of N-(1,2-diaminoethylidene)-2-methylpropanamide (CID 170687883) is N-(1,2-diaminoethylidene)-2-methylpropanamide.
What is the SMILES notation for N-(1,2-diaminoethylidene)-2-methylpropanamide?
The canonical SMILES for N-(1,2-diaminoethylidene)-2-methylpropanamide is CC(C)C(=O)/N=C(/N)CN.
What is the InChIKey of N-(1,2-diaminoethylidene)-2-methylpropanamide?
The InChIKey is PUCKFIYMGJVAIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N3O/c1-4(2)6(10)9-5(8)3-7/h4H,3,7H2,1-2H3,(H2,8,9,10).
What are the key properties of N-(1,2-diaminoethylidene)-2-methylpropanamide?
N-(1,2-diaminoethylidene)-2-methylpropanamide has a molecular weight of 143.19 g/mol, XLogP of -0.52, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2-diaminoethylidene)-2-methylpropanamide is sourced from PubChem (CID 170687883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).