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

C11H22N2O — CID 139990761

IUPAC3-(1-methoxyethyl)octane-1,6-diimine
SMILES[H]/N=C/CC(CC/C(CC)=N/[H])C(C)OC
InChIInChI=1S/C11H22N2O/c1-4-11(13)6-5-10(7-8-12)9(2)14-3/h8-10,12-13H,4-7H2,1-3H3/b12-8+,13-11+
InChIKeyUZJPCGFTQOVXRM-UHSWXSRBSA-N
MW198.31 g/mol
LogP2.89
Rot. Bonds8

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

3-(1-methoxyethyl)octane-1,6-diimine (PubChem CID 139990761) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is 3-(1-methoxyethyl)octane-1,6-diimine.

Molecular Properties

Compound Name3-(1-methoxyethyl)octane-1,6-diimine
PubChem CID139990761
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC Name3-(1-methoxyethyl)octane-1,6-diimine
SMILES[H]/N=C/CC(CC/C(CC)=N/[H])C(C)OC
InChIInChI=1S/C11H22N2O/c1-4-11(13)6-5-10(7-8-12)9(2)14-3/h8-10,12-13H,4-7H2,1-3H3/b12-8+,13-11+
InChIKeyUZJPCGFTQOVXRM-UHSWXSRBSA-N
XLogP2.89
TPSA56.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 52.89
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-methoxyethyl)octane-1,6-diimine?
The IUPAC name of 3-(1-methoxyethyl)octane-1,6-diimine (CID 139990761) is 3-(1-methoxyethyl)octane-1,6-diimine.
What is the SMILES notation for 3-(1-methoxyethyl)octane-1,6-diimine?
The canonical SMILES for 3-(1-methoxyethyl)octane-1,6-diimine is [H]/N=C/CC(CC/C(CC)=N/[H])C(C)OC.
What is the InChIKey of 3-(1-methoxyethyl)octane-1,6-diimine?
The InChIKey is UZJPCGFTQOVXRM-UHSWXSRBSA-N. The full InChI is InChI=1S/C11H22N2O/c1-4-11(13)6-5-10(7-8-12)9(2)14-3/h8-10,12-13H,4-7H2,1-3H3/b12-8+,13-11+.
What are the key properties of 3-(1-methoxyethyl)octane-1,6-diimine?
3-(1-methoxyethyl)octane-1,6-diimine has a molecular weight of 198.31 g/mol, XLogP of 2.89, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methoxyethyl)octane-1,6-diimine is sourced from PubChem (CID 139990761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).