N-methylhexan-1-imine oxide

C7H15NO — CID 11815378

IUPACN-methylhexan-1-imine oxide
SMILESCCCCC/C=[N+](/C)[O-]
InChIInChI=1S/C7H15NO/c1-3-4-5-6-7-8(2)9/h7H,3-6H2,1-2H3/b8-7-
InChIKeyQJGZVZWTNKXLED-FPLPWBNLSA-N
MW129.20 g/mol
LogP1.78
Rot. Bonds4

About N-methylhexan-1-imine oxide

N-methylhexan-1-imine oxide (PubChem CID 11815378) has the molecular formula C7H15NO and a molecular weight of 129.20 g/mol. Its IUPAC name is N-methylhexan-1-imine oxide.

Molecular Properties

Compound NameN-methylhexan-1-imine oxide
PubChem CID11815378
Molecular FormulaC7H15NO
Molecular Weight129.20 g/mol
Exact Mass129.12
IUPAC NameN-methylhexan-1-imine oxide
SMILESCCCCC/C=[N+](/C)[O-]
InChIInChI=1S/C7H15NO/c1-3-4-5-6-7-8(2)9/h7H,3-6H2,1-2H3/b8-7-
InChIKeyQJGZVZWTNKXLED-FPLPWBNLSA-N
XLogP1.78
TPSA26.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.20
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methylhexan-1-imine oxide?
The IUPAC name of N-methylhexan-1-imine oxide (CID 11815378) is N-methylhexan-1-imine oxide.
What is the SMILES notation for N-methylhexan-1-imine oxide?
The canonical SMILES for N-methylhexan-1-imine oxide is CCCCC/C=[N+](/C)[O-].
What is the InChIKey of N-methylhexan-1-imine oxide?
The InChIKey is QJGZVZWTNKXLED-FPLPWBNLSA-N. The full InChI is InChI=1S/C7H15NO/c1-3-4-5-6-7-8(2)9/h7H,3-6H2,1-2H3/b8-7-.
What are the key properties of N-methylhexan-1-imine oxide?
N-methylhexan-1-imine oxide has a molecular weight of 129.20 g/mol, XLogP of 1.78, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylhexan-1-imine oxide is sourced from PubChem (CID 11815378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).