azane;ethanimine;2-methyloxirane

C7H19N3O — CID 141098742

IUPACazane;ethanimine;2-methyloxirane
SMILESCC1CO1.N.[H]/N=C/C.[H]/N=C/C
InChIInChI=1S/C3H6O.2C2H5N.H3N/c1-3-2-4-3;2*1-2-3;/h3H,2H2,1H3;2*2-3H,1H3;1H3/b;2*3-2+;
InChIKeyCYUKBWJJRFJDMQ-BZZWUUPTSA-N
MW161.25 g/mol
LogP1.88
Rot. Bonds

About azane;ethanimine;2-methyloxirane

azane;ethanimine;2-methyloxirane (PubChem CID 141098742) has the molecular formula C7H19N3O and a molecular weight of 161.25 g/mol. Its IUPAC name is azane;ethanimine;2-methyloxirane.

Molecular Properties

Compound Nameazane;ethanimine;2-methyloxirane
PubChem CID141098742
Molecular FormulaC7H19N3O
Molecular Weight161.25 g/mol
Exact Mass161.15
IUPAC Nameazane;ethanimine;2-methyloxirane
SMILESCC1CO1.N.[H]/N=C/C.[H]/N=C/C
InChIInChI=1S/C3H6O.2C2H5N.H3N/c1-3-2-4-3;2*1-2-3;/h3H,2H2,1H3;2*2-3H,1H3;1H3/b;2*3-2+;
InChIKeyCYUKBWJJRFJDMQ-BZZWUUPTSA-N
XLogP1.88
TPSA95.23 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.25
LogP ≤ 51.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze azane;ethanimine;2-methyloxirane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of azane;ethanimine;2-methyloxirane?
The IUPAC name of azane;ethanimine;2-methyloxirane (CID 141098742) is azane;ethanimine;2-methyloxirane.
What is the SMILES notation for azane;ethanimine;2-methyloxirane?
The canonical SMILES for azane;ethanimine;2-methyloxirane is CC1CO1.N.[H]/N=C/C.[H]/N=C/C.
What is the InChIKey of azane;ethanimine;2-methyloxirane?
The InChIKey is CYUKBWJJRFJDMQ-BZZWUUPTSA-N. The full InChI is InChI=1S/C3H6O.2C2H5N.H3N/c1-3-2-4-3;2*1-2-3;/h3H,2H2,1H3;2*2-3H,1H3;1H3/b;2*3-2+;.
What are the key properties of azane;ethanimine;2-methyloxirane?
azane;ethanimine;2-methyloxirane has a molecular weight of 161.25 g/mol, XLogP of 1.88, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azane;ethanimine;2-methyloxirane is sourced from PubChem (CID 141098742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).