2,3-diamino-N-propylprop-2-enamide

C6H13N3O — CID 87260151

IUPAC2,3-diamino-N-propylprop-2-enamide
SMILESCCCNC(=O)C(N)=CN
InChIInChI=1S/C6H13N3O/c1-2-3-9-6(10)5(8)4-7/h4H,2-3,7-8H2,1H3,(H,9,10)
InChIKeyXDXUKVIURCODSR-UHFFFAOYSA-N
MW143.19 g/mol
LogP-0.73
Rot. Bonds3

About 2,3-diamino-N-propylprop-2-enamide

2,3-diamino-N-propylprop-2-enamide (PubChem CID 87260151) has the molecular formula C6H13N3O and a molecular weight of 143.19 g/mol. Its IUPAC name is 2,3-diamino-N-propylprop-2-enamide.

Molecular Properties

Compound Name2,3-diamino-N-propylprop-2-enamide
PubChem CID87260151
Molecular FormulaC6H13N3O
Molecular Weight143.19 g/mol
Exact Mass143.11
IUPAC Name2,3-diamino-N-propylprop-2-enamide
SMILESCCCNC(=O)C(N)=CN
InChIInChI=1S/C6H13N3O/c1-2-3-9-6(10)5(8)4-7/h4H,2-3,7-8H2,1H3,(H,9,10)
InChIKeyXDXUKVIURCODSR-UHFFFAOYSA-N
XLogP-0.73
TPSA81.14 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 5-0.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,3-diamino-N-propylprop-2-enamide?
The IUPAC name of 2,3-diamino-N-propylprop-2-enamide (CID 87260151) is 2,3-diamino-N-propylprop-2-enamide.
What is the SMILES notation for 2,3-diamino-N-propylprop-2-enamide?
The canonical SMILES for 2,3-diamino-N-propylprop-2-enamide is CCCNC(=O)C(N)=CN.
What is the InChIKey of 2,3-diamino-N-propylprop-2-enamide?
The InChIKey is XDXUKVIURCODSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N3O/c1-2-3-9-6(10)5(8)4-7/h4H,2-3,7-8H2,1H3,(H,9,10).
What are the key properties of 2,3-diamino-N-propylprop-2-enamide?
2,3-diamino-N-propylprop-2-enamide has a molecular weight of 143.19 g/mol, XLogP of -0.73, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-diamino-N-propylprop-2-enamide is sourced from PubChem (CID 87260151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).