7-methoxy-2,2,4-trimethylheptan-3-imine

C11H23NO — CID 174691411

IUPAC7-methoxy-2,2,4-trimethylheptan-3-imine
SMILES[H]/N=C(\C(C)CCCOC)C(C)(C)C
InChIInChI=1S/C11H23NO/c1-9(7-6-8-13-5)10(12)11(2,3)4/h9,12H,6-8H2,1-5H3/b12-10+
InChIKeyJEXLXJZQRGLBEB-ZRDIBKRKSA-N
MW185.31 g/mol
LogP3.11
Rot. Bonds5

About 7-methoxy-2,2,4-trimethylheptan-3-imine

7-methoxy-2,2,4-trimethylheptan-3-imine (PubChem CID 174691411) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is 7-methoxy-2,2,4-trimethylheptan-3-imine.

Molecular Properties

Compound Name7-methoxy-2,2,4-trimethylheptan-3-imine
PubChem CID174691411
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name7-methoxy-2,2,4-trimethylheptan-3-imine
SMILES[H]/N=C(\C(C)CCCOC)C(C)(C)C
InChIInChI=1S/C11H23NO/c1-9(7-6-8-13-5)10(12)11(2,3)4/h9,12H,6-8H2,1-5H3/b12-10+
InChIKeyJEXLXJZQRGLBEB-ZRDIBKRKSA-N
XLogP3.11
TPSA33.08 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 7-methoxy-2,2,4-trimethylheptan-3-imine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-2,2,4-trimethylheptan-3-imine?
The IUPAC name of 7-methoxy-2,2,4-trimethylheptan-3-imine (CID 174691411) is 7-methoxy-2,2,4-trimethylheptan-3-imine.
What is the SMILES notation for 7-methoxy-2,2,4-trimethylheptan-3-imine?
The canonical SMILES for 7-methoxy-2,2,4-trimethylheptan-3-imine is [H]/N=C(\C(C)CCCOC)C(C)(C)C.
What is the InChIKey of 7-methoxy-2,2,4-trimethylheptan-3-imine?
The InChIKey is JEXLXJZQRGLBEB-ZRDIBKRKSA-N. The full InChI is InChI=1S/C11H23NO/c1-9(7-6-8-13-5)10(12)11(2,3)4/h9,12H,6-8H2,1-5H3/b12-10+.
What are the key properties of 7-methoxy-2,2,4-trimethylheptan-3-imine?
7-methoxy-2,2,4-trimethylheptan-3-imine has a molecular weight of 185.31 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-2,2,4-trimethylheptan-3-imine is sourced from PubChem (CID 174691411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).