ethane;N-(oxan-2-yl)methanimine

C8H17NO — CID 91170532

IUPACethane;N-(oxan-2-yl)methanimine
SMILESC=NC1CCCCO1.CC
InChIInChI=1S/C6H11NO.C2H6/c1-7-6-4-2-3-5-8-6;1-2/h6H,1-5H2;1-2H3
InChIKeyUBZTUZSGTFPIJH-UHFFFAOYSA-N
MW143.23 g/mol
LogP2.24
Rot. Bonds1

About ethane;N-(oxan-2-yl)methanimine

ethane;N-(oxan-2-yl)methanimine (PubChem CID 91170532) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is ethane;N-(oxan-2-yl)methanimine.

Molecular Properties

Compound Nameethane;N-(oxan-2-yl)methanimine
PubChem CID91170532
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Nameethane;N-(oxan-2-yl)methanimine
SMILESC=NC1CCCCO1.CC
InChIInChI=1S/C6H11NO.C2H6/c1-7-6-4-2-3-5-8-6;1-2/h6H,1-5H2;1-2H3
InChIKeyUBZTUZSGTFPIJH-UHFFFAOYSA-N
XLogP2.24
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 52.24
H-Bond Donors ≤ 50
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 ethane;N-(oxan-2-yl)methanimine?
The IUPAC name of ethane;N-(oxan-2-yl)methanimine (CID 91170532) is ethane;N-(oxan-2-yl)methanimine.
What is the SMILES notation for ethane;N-(oxan-2-yl)methanimine?
The canonical SMILES for ethane;N-(oxan-2-yl)methanimine is C=NC1CCCCO1.CC.
What is the InChIKey of ethane;N-(oxan-2-yl)methanimine?
The InChIKey is UBZTUZSGTFPIJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO.C2H6/c1-7-6-4-2-3-5-8-6;1-2/h6H,1-5H2;1-2H3.
What are the key properties of ethane;N-(oxan-2-yl)methanimine?
ethane;N-(oxan-2-yl)methanimine has a molecular weight of 143.23 g/mol, XLogP of 2.24, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-(oxan-2-yl)methanimine is sourced from PubChem (CID 91170532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).