3-(diaminomethylideneamino)-N-methylpropanamide

C5H12N4O — CID 54278756

IUPAC3-(diaminomethylideneamino)-N-methylpropanamide
SMILESCNC(=O)CCN=C(N)N
InChIInChI=1S/C5H12N4O/c1-8-4(10)2-3-9-5(6)7/h2-3H2,1H3,(H,8,10)(H4,6,7,9)
InChIKeyQGVHRRRXDHDQSC-UHFFFAOYSA-N
MW144.18 g/mol
LogP-1.60
Rot. Bonds3

About 3-(diaminomethylideneamino)-N-methylpropanamide

3-(diaminomethylideneamino)-N-methylpropanamide (PubChem CID 54278756) has the molecular formula C5H12N4O and a molecular weight of 144.18 g/mol. Its IUPAC name is 3-(diaminomethylideneamino)-N-methylpropanamide.

Molecular Properties

Compound Name3-(diaminomethylideneamino)-N-methylpropanamide
PubChem CID54278756
Molecular FormulaC5H12N4O
Molecular Weight144.18 g/mol
Exact Mass144.10
IUPAC Name3-(diaminomethylideneamino)-N-methylpropanamide
SMILESCNC(=O)CCN=C(N)N
InChIInChI=1S/C5H12N4O/c1-8-4(10)2-3-9-5(6)7/h2-3H2,1H3,(H,8,10)(H4,6,7,9)
InChIKeyQGVHRRRXDHDQSC-UHFFFAOYSA-N
XLogP-1.60
TPSA93.50 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.18
LogP ≤ 5-1.60
H-Bond Donors ≤ 53
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 3-(diaminomethylideneamino)-N-methylpropanamide?
The IUPAC name of 3-(diaminomethylideneamino)-N-methylpropanamide (CID 54278756) is 3-(diaminomethylideneamino)-N-methylpropanamide.
What is the SMILES notation for 3-(diaminomethylideneamino)-N-methylpropanamide?
The canonical SMILES for 3-(diaminomethylideneamino)-N-methylpropanamide is CNC(=O)CCN=C(N)N.
What is the InChIKey of 3-(diaminomethylideneamino)-N-methylpropanamide?
The InChIKey is QGVHRRRXDHDQSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N4O/c1-8-4(10)2-3-9-5(6)7/h2-3H2,1H3,(H,8,10)(H4,6,7,9).
What are the key properties of 3-(diaminomethylideneamino)-N-methylpropanamide?
3-(diaminomethylideneamino)-N-methylpropanamide has a molecular weight of 144.18 g/mol, XLogP of -1.60, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(diaminomethylideneamino)-N-methylpropanamide is sourced from PubChem (CID 54278756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).