2-ethyl-4-(methoxymethyl)-N-methylhexan-1-imine

C11H23NO — CID 144905923

IUPAC2-ethyl-4-(methoxymethyl)-N-methylhexan-1-imine
SMILESCCC(/C=N/C)CC(CC)COC
InChIInChI=1S/C11H23NO/c1-5-10(8-12-3)7-11(6-2)9-13-4/h8,10-11H,5-7,9H2,1-4H3/b12-8+
InChIKeyDCEWHCLCFXPYSC-XYOKQWHBSA-N
MW185.31 g/mol
LogP2.78
Rot. Bonds7

About 2-ethyl-4-(methoxymethyl)-N-methylhexan-1-imine

2-ethyl-4-(methoxymethyl)-N-methylhexan-1-imine (PubChem CID 144905923) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is 2-ethyl-4-(methoxymethyl)-N-methylhexan-1-imine.

Molecular Properties

Compound Name2-ethyl-4-(methoxymethyl)-N-methylhexan-1-imine
PubChem CID144905923
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name2-ethyl-4-(methoxymethyl)-N-methylhexan-1-imine
SMILESCCC(/C=N/C)CC(CC)COC
InChIInChI=1S/C11H23NO/c1-5-10(8-12-3)7-11(6-2)9-13-4/h8,10-11H,5-7,9H2,1-4H3/b12-8+
InChIKeyDCEWHCLCFXPYSC-XYOKQWHBSA-N
XLogP2.78
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 52.78
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 2-ethyl-4-(methoxymethyl)-N-methylhexan-1-imine?
The IUPAC name of 2-ethyl-4-(methoxymethyl)-N-methylhexan-1-imine (CID 144905923) is 2-ethyl-4-(methoxymethyl)-N-methylhexan-1-imine.
What is the SMILES notation for 2-ethyl-4-(methoxymethyl)-N-methylhexan-1-imine?
The canonical SMILES for 2-ethyl-4-(methoxymethyl)-N-methylhexan-1-imine is CCC(/C=N/C)CC(CC)COC.
What is the InChIKey of 2-ethyl-4-(methoxymethyl)-N-methylhexan-1-imine?
The InChIKey is DCEWHCLCFXPYSC-XYOKQWHBSA-N. The full InChI is InChI=1S/C11H23NO/c1-5-10(8-12-3)7-11(6-2)9-13-4/h8,10-11H,5-7,9H2,1-4H3/b12-8+.
What are the key properties of 2-ethyl-4-(methoxymethyl)-N-methylhexan-1-imine?
2-ethyl-4-(methoxymethyl)-N-methylhexan-1-imine has a molecular weight of 185.31 g/mol, XLogP of 2.78, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-(methoxymethyl)-N-methylhexan-1-imine is sourced from PubChem (CID 144905923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).