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

C11H20N2O — CID 134221082

IUPACN,N'-diethyl-1-(oxan-4-yl)ethane-1,2-diimine
SMILESCC/N=C(\C=N\CC)C1CCOCC1
InChIInChI=1S/C11H20N2O/c1-3-12-9-11(13-4-2)10-5-7-14-8-6-10/h9-10H,3-8H2,1-2H3/b12-9+,13-11+
InChIKeySMDKMVZQAXTMRD-RBDPUHSXSA-N
MW196.29 g/mol
LogP1.96
Rot. Bonds4

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

N,N'-diethyl-1-(oxan-4-yl)ethane-1,2-diimine (PubChem CID 134221082) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is N,N'-diethyl-1-(oxan-4-yl)ethane-1,2-diimine.

Molecular Properties

Compound NameN,N'-diethyl-1-(oxan-4-yl)ethane-1,2-diimine
PubChem CID134221082
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC NameN,N'-diethyl-1-(oxan-4-yl)ethane-1,2-diimine
SMILESCC/N=C(\C=N\CC)C1CCOCC1
InChIInChI=1S/C11H20N2O/c1-3-12-9-11(13-4-2)10-5-7-14-8-6-10/h9-10H,3-8H2,1-2H3/b12-9+,13-11+
InChIKeySMDKMVZQAXTMRD-RBDPUHSXSA-N
XLogP1.96
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-tert-butyl-2-(oxan-4-yl)ethanimine
CID 66867748
[2-Dimethylazaniumylidene-1-(oxolan-3-yl)ethylidene]-dimethylazanium
CID 90907048
N-(oxan-4-ylmethyl)propan-2-imine
CID 123160252
N-(oxan-4-ylmethyl)butan-2-imine
CID 123399638
3-methyl-N-(oxan-4-yl)butan-2-imine
CID 123654655
N-methyl-1-(oxan-4-yl)ethanimine
CID 123881183
2-methyl-N-(oxan-4-yl)propan-1-imine
CID 123980513
2-Methyl-5-(oxan-4-yl)-2,3-dihydropyrazine
CID 129305119
N-ethyl-1-(oxan-4-yl)ethane-1,2-diimine
CID 130452359
N-methyl-1-(oxan-4-yl)methanimine
CID 138714745
4-tert-butyl-2-(oxan-4-yl)-2H-imidazole
CID 156146178

Frequently Asked Questions

What is the IUPAC name of N,N'-diethyl-1-(oxan-4-yl)ethane-1,2-diimine?
The IUPAC name of N,N'-diethyl-1-(oxan-4-yl)ethane-1,2-diimine (CID 134221082) is N,N'-diethyl-1-(oxan-4-yl)ethane-1,2-diimine.
What is the SMILES notation for N,N'-diethyl-1-(oxan-4-yl)ethane-1,2-diimine?
The canonical SMILES for N,N'-diethyl-1-(oxan-4-yl)ethane-1,2-diimine is CC/N=C(\C=N\CC)C1CCOCC1.
What is the InChIKey of N,N'-diethyl-1-(oxan-4-yl)ethane-1,2-diimine?
The InChIKey is SMDKMVZQAXTMRD-RBDPUHSXSA-N. The full InChI is InChI=1S/C11H20N2O/c1-3-12-9-11(13-4-2)10-5-7-14-8-6-10/h9-10H,3-8H2,1-2H3/b12-9+,13-11+.
What are the key properties of N,N'-diethyl-1-(oxan-4-yl)ethane-1,2-diimine?
N,N'-diethyl-1-(oxan-4-yl)ethane-1,2-diimine has a molecular weight of 196.29 g/mol, XLogP of 1.96, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-diethyl-1-(oxan-4-yl)ethane-1,2-diimine is sourced from PubChem (CID 134221082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).