3-(1-ethoxyethyl)octane-1,6-diimine

C12H24N2O — CID 139990770

IUPAC3-(1-ethoxyethyl)octane-1,6-diimine
SMILES[H]/N=C/CC(CC/C(CC)=N/[H])C(C)OCC
InChIInChI=1S/C12H24N2O/c1-4-12(14)7-6-11(8-9-13)10(3)15-5-2/h9-11,13-14H,4-8H2,1-3H3/b13-9+,14-12+
InChIKeyDPPCFLFTSCYVBT-IHJNGOQESA-N
MW212.34 g/mol
LogP3.28
Rot. Bonds9

About 3-(1-ethoxyethyl)octane-1,6-diimine

3-(1-ethoxyethyl)octane-1,6-diimine (PubChem CID 139990770) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is 3-(1-ethoxyethyl)octane-1,6-diimine.

Molecular Properties

Compound Name3-(1-ethoxyethyl)octane-1,6-diimine
PubChem CID139990770
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name3-(1-ethoxyethyl)octane-1,6-diimine
SMILES[H]/N=C/CC(CC/C(CC)=N/[H])C(C)OCC
InChIInChI=1S/C12H24N2O/c1-4-12(14)7-6-11(8-9-13)10(3)15-5-2/h9-11,13-14H,4-8H2,1-3H3/b13-9+,14-12+
InChIKeyDPPCFLFTSCYVBT-IHJNGOQESA-N
XLogP3.28
TPSA56.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 53.28
H-Bond Donors ≤ 52
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 3-(1-ethoxyethyl)octane-1,6-diimine?
The IUPAC name of 3-(1-ethoxyethyl)octane-1,6-diimine (CID 139990770) is 3-(1-ethoxyethyl)octane-1,6-diimine.
What is the SMILES notation for 3-(1-ethoxyethyl)octane-1,6-diimine?
The canonical SMILES for 3-(1-ethoxyethyl)octane-1,6-diimine is [H]/N=C/CC(CC/C(CC)=N/[H])C(C)OCC.
What is the InChIKey of 3-(1-ethoxyethyl)octane-1,6-diimine?
The InChIKey is DPPCFLFTSCYVBT-IHJNGOQESA-N. The full InChI is InChI=1S/C12H24N2O/c1-4-12(14)7-6-11(8-9-13)10(3)15-5-2/h9-11,13-14H,4-8H2,1-3H3/b13-9+,14-12+.
What are the key properties of 3-(1-ethoxyethyl)octane-1,6-diimine?
3-(1-ethoxyethyl)octane-1,6-diimine has a molecular weight of 212.34 g/mol, XLogP of 3.28, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-ethoxyethyl)octane-1,6-diimine is sourced from PubChem (CID 139990770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).