6-ethyliminohexan-1-ol

C8H17NO — CID 146626494

IUPAC6-ethyliminohexan-1-ol
SMILESCC/N=C/CCCCCO
InChIInChI=1S/C8H17NO/c1-2-9-7-5-3-4-6-8-10/h7,10H,2-6,8H2,1H3/b9-7+
InChIKeyCYSGELCAGBPDBO-VQHVLOKHSA-N
MW143.23 g/mol
LogP1.63
Rot. Bonds6

About 6-ethyliminohexan-1-ol

6-ethyliminohexan-1-ol (PubChem CID 146626494) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is 6-ethyliminohexan-1-ol.

Molecular Properties

Compound Name6-ethyliminohexan-1-ol
PubChem CID146626494
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Name6-ethyliminohexan-1-ol
SMILESCC/N=C/CCCCCO
InChIInChI=1S/C8H17NO/c1-2-9-7-5-3-4-6-8-10/h7,10H,2-6,8H2,1H3/b9-7+
InChIKeyCYSGELCAGBPDBO-VQHVLOKHSA-N
XLogP1.63
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 51.63
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-ethyliminohexan-1-ol?
The IUPAC name of 6-ethyliminohexan-1-ol (CID 146626494) is 6-ethyliminohexan-1-ol.
What is the SMILES notation for 6-ethyliminohexan-1-ol?
The canonical SMILES for 6-ethyliminohexan-1-ol is CC/N=C/CCCCCO.
What is the InChIKey of 6-ethyliminohexan-1-ol?
The InChIKey is CYSGELCAGBPDBO-VQHVLOKHSA-N. The full InChI is InChI=1S/C8H17NO/c1-2-9-7-5-3-4-6-8-10/h7,10H,2-6,8H2,1H3/b9-7+.
What are the key properties of 6-ethyliminohexan-1-ol?
6-ethyliminohexan-1-ol has a molecular weight of 143.23 g/mol, XLogP of 1.63, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyliminohexan-1-ol is sourced from PubChem (CID 146626494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).