2-hexyliminoacetaldehyde

C8H15NO — CID 57243477

IUPAC2-hexyliminoacetaldehyde
SMILESCCCCCC/N=C/C=O
InChIInChI=1S/C8H15NO/c1-2-3-4-5-6-9-7-8-10/h7-8H,2-6H2,1H3/b9-7+
InChIKeyZLVXRXCEHKTWIC-VQHVLOKHSA-N
MW141.21 g/mol
LogP1.84
Rot. Bonds6

About 2-hexyliminoacetaldehyde

2-hexyliminoacetaldehyde (PubChem CID 57243477) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is 2-hexyliminoacetaldehyde.

Molecular Properties

Compound Name2-hexyliminoacetaldehyde
PubChem CID57243477
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name2-hexyliminoacetaldehyde
SMILESCCCCCC/N=C/C=O
InChIInChI=1S/C8H15NO/c1-2-3-4-5-6-9-7-8-10/h7-8H,2-6H2,1H3/b9-7+
InChIKeyZLVXRXCEHKTWIC-VQHVLOKHSA-N
XLogP1.84
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-hexyliminoacetaldehyde?
The IUPAC name of 2-hexyliminoacetaldehyde (CID 57243477) is 2-hexyliminoacetaldehyde.
What is the SMILES notation for 2-hexyliminoacetaldehyde?
The canonical SMILES for 2-hexyliminoacetaldehyde is CCCCCC/N=C/C=O.
What is the InChIKey of 2-hexyliminoacetaldehyde?
The InChIKey is ZLVXRXCEHKTWIC-VQHVLOKHSA-N. The full InChI is InChI=1S/C8H15NO/c1-2-3-4-5-6-9-7-8-10/h7-8H,2-6H2,1H3/b9-7+.
What are the key properties of 2-hexyliminoacetaldehyde?
2-hexyliminoacetaldehyde has a molecular weight of 141.21 g/mol, XLogP of 1.84, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hexyliminoacetaldehyde is sourced from PubChem (CID 57243477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).