3-methyloxan-2-imine

C6H11NO — CID 145278326

IUPAC3-methyloxan-2-imine
SMILES[H]/N=C1\OCCCC1C
InChIInChI=1S/C6H11NO/c1-5-3-2-4-8-6(5)7/h5,7H,2-4H2,1H3/b7-6-
InChIKeyZJOANZYTDQZCLZ-SREVYHEPSA-N
MW113.16 g/mol
LogP1.41
Rot. Bonds

About 3-methyloxan-2-imine

3-methyloxan-2-imine (PubChem CID 145278326) has the molecular formula C6H11NO and a molecular weight of 113.16 g/mol. Its IUPAC name is 3-methyloxan-2-imine.

Molecular Properties

Compound Name3-methyloxan-2-imine
PubChem CID145278326
Molecular FormulaC6H11NO
Molecular Weight113.16 g/mol
Exact Mass113.08
IUPAC Name3-methyloxan-2-imine
SMILES[H]/N=C1\OCCCC1C
InChIInChI=1S/C6H11NO/c1-5-3-2-4-8-6(5)7/h5,7H,2-4H2,1H3/b7-6-
InChIKeyZJOANZYTDQZCLZ-SREVYHEPSA-N
XLogP1.41
TPSA33.08 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.16
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-methyloxan-2-imine 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 3-methyloxan-2-imine?
The IUPAC name of 3-methyloxan-2-imine (CID 145278326) is 3-methyloxan-2-imine.
What is the SMILES notation for 3-methyloxan-2-imine?
The canonical SMILES for 3-methyloxan-2-imine is [H]/N=C1\OCCCC1C.
What is the InChIKey of 3-methyloxan-2-imine?
The InChIKey is ZJOANZYTDQZCLZ-SREVYHEPSA-N. The full InChI is InChI=1S/C6H11NO/c1-5-3-2-4-8-6(5)7/h5,7H,2-4H2,1H3/b7-6-.
What are the key properties of 3-methyloxan-2-imine?
3-methyloxan-2-imine has a molecular weight of 113.16 g/mol, XLogP of 1.41, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyloxan-2-imine is sourced from PubChem (CID 145278326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).