N-ethyl-1-(oxan-4-yl)ethane-1,2-diimine

C9H16N2O — CID 130452359

IUPACN-ethyl-1-(oxan-4-yl)ethane-1,2-diimine
SMILES[H]/N=C/C(=N\CC)C1CCOCC1
InChIInChI=1S/C9H16N2O/c1-2-11-9(7-10)8-3-5-12-6-4-8/h7-8,10H,2-6H2,1H3/b10-7+,11-9+
InChIKeyKPFIPPHTWBVIRA-PPZOTWNKSA-N
MW168.24 g/mol
LogP1.52
Rot. Bonds3

About N-ethyl-1-(oxan-4-yl)ethane-1,2-diimine

N-ethyl-1-(oxan-4-yl)ethane-1,2-diimine (PubChem CID 130452359) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is N-ethyl-1-(oxan-4-yl)ethane-1,2-diimine.

Molecular Properties

Compound NameN-ethyl-1-(oxan-4-yl)ethane-1,2-diimine
PubChem CID130452359
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC NameN-ethyl-1-(oxan-4-yl)ethane-1,2-diimine
SMILES[H]/N=C/C(=N\CC)C1CCOCC1
InChIInChI=1S/C9H16N2O/c1-2-11-9(7-10)8-3-5-12-6-4-8/h7-8,10H,2-6H2,1H3/b10-7+,11-9+
InChIKeyKPFIPPHTWBVIRA-PPZOTWNKSA-N
XLogP1.52
TPSA45.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 N-ethyl-1-(oxan-4-yl)ethane-1,2-diimine?
The IUPAC name of N-ethyl-1-(oxan-4-yl)ethane-1,2-diimine (CID 130452359) is N-ethyl-1-(oxan-4-yl)ethane-1,2-diimine.
What is the SMILES notation for N-ethyl-1-(oxan-4-yl)ethane-1,2-diimine?
The canonical SMILES for N-ethyl-1-(oxan-4-yl)ethane-1,2-diimine is [H]/N=C/C(=N\CC)C1CCOCC1.
What is the InChIKey of N-ethyl-1-(oxan-4-yl)ethane-1,2-diimine?
The InChIKey is KPFIPPHTWBVIRA-PPZOTWNKSA-N. The full InChI is InChI=1S/C9H16N2O/c1-2-11-9(7-10)8-3-5-12-6-4-8/h7-8,10H,2-6H2,1H3/b10-7+,11-9+.
What are the key properties of N-ethyl-1-(oxan-4-yl)ethane-1,2-diimine?
N-ethyl-1-(oxan-4-yl)ethane-1,2-diimine has a molecular weight of 168.24 g/mol, XLogP of 1.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(oxan-4-yl)ethane-1,2-diimine is sourced from PubChem (CID 130452359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).