azane;1-ethyl-3-ethylideneurea

C5H13N3O — CID 174343488

IUPACazane;1-ethyl-3-ethylideneurea
SMILESCC=NC(=O)NCC.N
InChIInChI=1S/C5H10N2O.H3N/c1-3-6-5(8)7-4-2;/h3H,4H2,1-2H3,(H,7,8);1H3
InChIKeyPBIDGQFYPGSKPP-UHFFFAOYSA-N
MW131.18 g/mol
LogP0.97
Rot. Bonds1

About azane;1-ethyl-3-ethylideneurea

azane;1-ethyl-3-ethylideneurea (PubChem CID 174343488) has the molecular formula C5H13N3O and a molecular weight of 131.18 g/mol. Its IUPAC name is azane;1-ethyl-3-ethylideneurea.

Molecular Properties

Compound Nameazane;1-ethyl-3-ethylideneurea
PubChem CID174343488
Molecular FormulaC5H13N3O
Molecular Weight131.18 g/mol
Exact Mass131.11
IUPAC Nameazane;1-ethyl-3-ethylideneurea
SMILESCC=NC(=O)NCC.N
InChIInChI=1S/C5H10N2O.H3N/c1-3-6-5(8)7-4-2;/h3H,4H2,1-2H3,(H,7,8);1H3
InChIKeyPBIDGQFYPGSKPP-UHFFFAOYSA-N
XLogP0.97
TPSA76.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.18
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 azane;1-ethyl-3-ethylideneurea?
The IUPAC name of azane;1-ethyl-3-ethylideneurea (CID 174343488) is azane;1-ethyl-3-ethylideneurea.
What is the SMILES notation for azane;1-ethyl-3-ethylideneurea?
The canonical SMILES for azane;1-ethyl-3-ethylideneurea is CC=NC(=O)NCC.N.
What is the InChIKey of azane;1-ethyl-3-ethylideneurea?
The InChIKey is PBIDGQFYPGSKPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2O.H3N/c1-3-6-5(8)7-4-2;/h3H,4H2,1-2H3,(H,7,8);1H3.
What are the key properties of azane;1-ethyl-3-ethylideneurea?
azane;1-ethyl-3-ethylideneurea has a molecular weight of 131.18 g/mol, XLogP of 0.97, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azane;1-ethyl-3-ethylideneurea is sourced from PubChem (CID 174343488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).