(6Z)-2,3-dimethyl-1,2,3,4,5,8-hexahydroazocine

C9H17N — CID 58293712

IUPAC(6Z)-2,3-dimethyl-1,2,3,4,5,8-hexahydroazocine
SMILESCC1CC/C=C\CNC1C
InChIInChI=1S/C9H17N/c1-8-6-4-3-5-7-10-9(8)2/h3,5,8-10H,4,6-7H2,1-2H3/b5-3-
InChIKeyKWDAWUGPMALBPA-HYXAFXHYSA-N
MW139.24 g/mol
LogP1.95
Rot. Bonds

About (6Z)-2,3-dimethyl-1,2,3,4,5,8-hexahydroazocine

(6Z)-2,3-dimethyl-1,2,3,4,5,8-hexahydroazocine (PubChem CID 58293712) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is (6Z)-2,3-dimethyl-1,2,3,4,5,8-hexahydroazocine.

Molecular Properties

Compound Name(6Z)-2,3-dimethyl-1,2,3,4,5,8-hexahydroazocine
PubChem CID58293712
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC Name(6Z)-2,3-dimethyl-1,2,3,4,5,8-hexahydroazocine
SMILESCC1CC/C=C\CNC1C
InChIInChI=1S/C9H17N/c1-8-6-4-3-5-7-10-9(8)2/h3,5,8-10H,4,6-7H2,1-2H3/b5-3-
InChIKeyKWDAWUGPMALBPA-HYXAFXHYSA-N
XLogP1.95
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.24
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 (6Z)-2,3-dimethyl-1,2,3,4,5,8-hexahydroazocine?
The IUPAC name of (6Z)-2,3-dimethyl-1,2,3,4,5,8-hexahydroazocine (CID 58293712) is (6Z)-2,3-dimethyl-1,2,3,4,5,8-hexahydroazocine.
What is the SMILES notation for (6Z)-2,3-dimethyl-1,2,3,4,5,8-hexahydroazocine?
The canonical SMILES for (6Z)-2,3-dimethyl-1,2,3,4,5,8-hexahydroazocine is CC1CC/C=C\CNC1C.
What is the InChIKey of (6Z)-2,3-dimethyl-1,2,3,4,5,8-hexahydroazocine?
The InChIKey is KWDAWUGPMALBPA-HYXAFXHYSA-N. The full InChI is InChI=1S/C9H17N/c1-8-6-4-3-5-7-10-9(8)2/h3,5,8-10H,4,6-7H2,1-2H3/b5-3-.
What are the key properties of (6Z)-2,3-dimethyl-1,2,3,4,5,8-hexahydroazocine?
(6Z)-2,3-dimethyl-1,2,3,4,5,8-hexahydroazocine has a molecular weight of 139.24 g/mol, XLogP of 1.95, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z)-2,3-dimethyl-1,2,3,4,5,8-hexahydroazocine is sourced from PubChem (CID 58293712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).