6-(benzylideneamino)hexan-1-ol

C13H19NO — CID 122202141

IUPAC6-(benzylideneamino)hexan-1-ol
SMILESOCCCCCC/N=C/c1ccccc1
InChIInChI=1S/C13H19NO/c15-11-7-2-1-6-10-14-12-13-8-4-3-5-9-13/h3-5,8-9,12,15H,1-2,6-7,10-11H2/b14-12+
InChIKeyGETCNDAJCLFEIF-WYMLVPIESA-N
MW205.30 g/mol
LogP2.66
Rot. Bonds7

About 6-(benzylideneamino)hexan-1-ol

6-(benzylideneamino)hexan-1-ol (PubChem CID 122202141) has the molecular formula C13H19NO and a molecular weight of 205.30 g/mol. Its IUPAC name is 6-(benzylideneamino)hexan-1-ol.

Molecular Properties

Compound Name6-(benzylideneamino)hexan-1-ol
PubChem CID122202141
Molecular FormulaC13H19NO
Molecular Weight205.30 g/mol
Exact Mass205.15
IUPAC Name6-(benzylideneamino)hexan-1-ol
SMILESOCCCCCC/N=C/c1ccccc1
InChIInChI=1S/C13H19NO/c15-11-7-2-1-6-10-14-12-13-8-4-3-5-9-13/h3-5,8-9,12,15H,1-2,6-7,10-11H2/b14-12+
InChIKeyGETCNDAJCLFEIF-WYMLVPIESA-N
XLogP2.66
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.30
LogP ≤ 52.66
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'}

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Frequently Asked Questions

What is the IUPAC name of 6-(benzylideneamino)hexan-1-ol?
The IUPAC name of 6-(benzylideneamino)hexan-1-ol (CID 122202141) is 6-(benzylideneamino)hexan-1-ol.
What is the SMILES notation for 6-(benzylideneamino)hexan-1-ol?
The canonical SMILES for 6-(benzylideneamino)hexan-1-ol is OCCCCCC/N=C/c1ccccc1.
What is the InChIKey of 6-(benzylideneamino)hexan-1-ol?
The InChIKey is GETCNDAJCLFEIF-WYMLVPIESA-N. The full InChI is InChI=1S/C13H19NO/c15-11-7-2-1-6-10-14-12-13-8-4-3-5-9-13/h3-5,8-9,12,15H,1-2,6-7,10-11H2/b14-12+.
What are the key properties of 6-(benzylideneamino)hexan-1-ol?
6-(benzylideneamino)hexan-1-ol has a molecular weight of 205.30 g/mol, XLogP of 2.66, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(benzylideneamino)hexan-1-ol is sourced from PubChem (CID 122202141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).