3-ethyl-5-methyl-1,2,3,4,5,8-hexahydroazocin-4-ol

C10H19NO — CID 123419292

IUPAC3-ethyl-5-methyl-1,2,3,4,5,8-hexahydroazocin-4-ol
SMILESCCC1CNCC=CC(C)C1O
InChIInChI=1S/C10H19NO/c1-3-9-7-11-6-4-5-8(2)10(9)12/h4-5,8-12H,3,6-7H2,1-2H3
InChIKeyDOUJPUBSQAWIOD-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.17
Rot. Bonds1

About 3-ethyl-5-methyl-1,2,3,4,5,8-hexahydroazocin-4-ol

3-ethyl-5-methyl-1,2,3,4,5,8-hexahydroazocin-4-ol (PubChem CID 123419292) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 3-ethyl-5-methyl-1,2,3,4,5,8-hexahydroazocin-4-ol.

Molecular Properties

Compound Name3-ethyl-5-methyl-1,2,3,4,5,8-hexahydroazocin-4-ol
PubChem CID123419292
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name3-ethyl-5-methyl-1,2,3,4,5,8-hexahydroazocin-4-ol
SMILESCCC1CNCC=CC(C)C1O
InChIInChI=1S/C10H19NO/c1-3-9-7-11-6-4-5-8(2)10(9)12/h4-5,8-12H,3,6-7H2,1-2H3
InChIKeyDOUJPUBSQAWIOD-UHFFFAOYSA-N
XLogP1.17
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-methyl-1,2,3,4,5,8-hexahydroazocin-4-ol?
The IUPAC name of 3-ethyl-5-methyl-1,2,3,4,5,8-hexahydroazocin-4-ol (CID 123419292) is 3-ethyl-5-methyl-1,2,3,4,5,8-hexahydroazocin-4-ol.
What is the SMILES notation for 3-ethyl-5-methyl-1,2,3,4,5,8-hexahydroazocin-4-ol?
The canonical SMILES for 3-ethyl-5-methyl-1,2,3,4,5,8-hexahydroazocin-4-ol is CCC1CNCC=CC(C)C1O.
What is the InChIKey of 3-ethyl-5-methyl-1,2,3,4,5,8-hexahydroazocin-4-ol?
The InChIKey is DOUJPUBSQAWIOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-3-9-7-11-6-4-5-8(2)10(9)12/h4-5,8-12H,3,6-7H2,1-2H3.
What are the key properties of 3-ethyl-5-methyl-1,2,3,4,5,8-hexahydroazocin-4-ol?
3-ethyl-5-methyl-1,2,3,4,5,8-hexahydroazocin-4-ol has a molecular weight of 169.27 g/mol, XLogP of 1.17, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-methyl-1,2,3,4,5,8-hexahydroazocin-4-ol is sourced from PubChem (CID 123419292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).