(3E,6E)-3-ethenyl-8-methyl-4-(methylamino)-1,2,5,8-tetrahydroazocin-2-ol

C11H18N2O — CID 89298879

IUPAC(3E,6E)-3-ethenyl-8-methyl-4-(methylamino)-1,2,5,8-tetrahydroazocin-2-ol
SMILESC=C/C1=C(\NC)C/C=C\C(C)NC1O
InChIInChI=1S/C11H18N2O/c1-4-9-10(12-3)7-5-6-8(2)13-11(9)14/h4-6,8,11-14H,1,7H2,2-3H3/b6-5-,10-9+
InChIKeyJDHWYHXLODINNN-MLCWLASSSA-N
MW194.28 g/mol
LogP0.90
Rot. Bonds2

About (3E,6E)-3-ethenyl-8-methyl-4-(methylamino)-1,2,5,8-tetrahydroazocin-2-ol

(3E,6E)-3-ethenyl-8-methyl-4-(methylamino)-1,2,5,8-tetrahydroazocin-2-ol (PubChem CID 89298879) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is (3E,6E)-3-ethenyl-8-methyl-4-(methylamino)-1,2,5,8-tetrahydroazocin-2-ol.

Molecular Properties

Compound Name(3E,6E)-3-ethenyl-8-methyl-4-(methylamino)-1,2,5,8-tetrahydroazocin-2-ol
PubChem CID89298879
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name(3E,6E)-3-ethenyl-8-methyl-4-(methylamino)-1,2,5,8-tetrahydroazocin-2-ol
SMILESC=C/C1=C(\NC)C/C=C\C(C)NC1O
InChIInChI=1S/C11H18N2O/c1-4-9-10(12-3)7-5-6-8(2)13-11(9)14/h4-6,8,11-14H,1,7H2,2-3H3/b6-5-,10-9+
InChIKeyJDHWYHXLODINNN-MLCWLASSSA-N
XLogP0.90
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 50.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (3E,6E)-3-ethenyl-8-methyl-4-(methylamino)-1,2,5,8-tetrahydroazocin-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3E,6E)-3-ethenyl-8-methyl-4-(methylamino)-1,2,5,8-tetrahydroazocin-2-ol?
The IUPAC name of (3E,6E)-3-ethenyl-8-methyl-4-(methylamino)-1,2,5,8-tetrahydroazocin-2-ol (CID 89298879) is (3E,6E)-3-ethenyl-8-methyl-4-(methylamino)-1,2,5,8-tetrahydroazocin-2-ol.
What is the SMILES notation for (3E,6E)-3-ethenyl-8-methyl-4-(methylamino)-1,2,5,8-tetrahydroazocin-2-ol?
The canonical SMILES for (3E,6E)-3-ethenyl-8-methyl-4-(methylamino)-1,2,5,8-tetrahydroazocin-2-ol is C=C/C1=C(\NC)C/C=C\C(C)NC1O.
What is the InChIKey of (3E,6E)-3-ethenyl-8-methyl-4-(methylamino)-1,2,5,8-tetrahydroazocin-2-ol?
The InChIKey is JDHWYHXLODINNN-MLCWLASSSA-N. The full InChI is InChI=1S/C11H18N2O/c1-4-9-10(12-3)7-5-6-8(2)13-11(9)14/h4-6,8,11-14H,1,7H2,2-3H3/b6-5-,10-9+.
What are the key properties of (3E,6E)-3-ethenyl-8-methyl-4-(methylamino)-1,2,5,8-tetrahydroazocin-2-ol?
(3E,6E)-3-ethenyl-8-methyl-4-(methylamino)-1,2,5,8-tetrahydroazocin-2-ol has a molecular weight of 194.28 g/mol, XLogP of 0.90, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,6E)-3-ethenyl-8-methyl-4-(methylamino)-1,2,5,8-tetrahydroazocin-2-ol is sourced from PubChem (CID 89298879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).