(6E)-6-cyclohex-2-en-1-yl-2,3,4,5-tetrahydroazocine

C13H19N — CID 126707069

IUPAC(6E)-6-cyclohex-2-en-1-yl-2,3,4,5-tetrahydroazocine
SMILESC1=CC(/C2=C/C=N\CCCC2)CCC1
InChIInChI=1S/C13H19N/c1-2-6-12(7-3-1)13-8-4-5-10-14-11-9-13/h2,6,9,11-12H,1,3-5,7-8,10H2/b13-9+,14-11-
InChIKeyZGIGLTHXQRODSL-UBWQMIQVSA-N
MW189.30 g/mol
LogP3.52
Rot. Bonds1

About (6E)-6-cyclohex-2-en-1-yl-2,3,4,5-tetrahydroazocine

(6E)-6-cyclohex-2-en-1-yl-2,3,4,5-tetrahydroazocine (PubChem CID 126707069) has the molecular formula C13H19N and a molecular weight of 189.30 g/mol. Its IUPAC name is (6E)-6-cyclohex-2-en-1-yl-2,3,4,5-tetrahydroazocine.

Molecular Properties

Compound Name(6E)-6-cyclohex-2-en-1-yl-2,3,4,5-tetrahydroazocine
PubChem CID126707069
Molecular FormulaC13H19N
Molecular Weight189.30 g/mol
Exact Mass189.15
IUPAC Name(6E)-6-cyclohex-2-en-1-yl-2,3,4,5-tetrahydroazocine
SMILESC1=CC(/C2=C/C=N\CCCC2)CCC1
InChIInChI=1S/C13H19N/c1-2-6-12(7-3-1)13-8-4-5-10-14-11-9-13/h2,6,9,11-12H,1,3-5,7-8,10H2/b13-9+,14-11-
InChIKeyZGIGLTHXQRODSL-UBWQMIQVSA-N
XLogP3.52
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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4-Cyclooctyl-2,5-dihydropyridine
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3-Cycloheptyl-2,5-dihydropyridine
CID 57165234
3-Cyclohexyl-2,5-dihydropyridine
CID 57213546
3-Cyclooctyl-2,5-dihydropyridine
CID 57316002
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Frequently Asked Questions

What is the IUPAC name of (6E)-6-cyclohex-2-en-1-yl-2,3,4,5-tetrahydroazocine?
The IUPAC name of (6E)-6-cyclohex-2-en-1-yl-2,3,4,5-tetrahydroazocine (CID 126707069) is (6E)-6-cyclohex-2-en-1-yl-2,3,4,5-tetrahydroazocine.
What is the SMILES notation for (6E)-6-cyclohex-2-en-1-yl-2,3,4,5-tetrahydroazocine?
The canonical SMILES for (6E)-6-cyclohex-2-en-1-yl-2,3,4,5-tetrahydroazocine is C1=CC(/C2=C/C=N\CCCC2)CCC1.
What is the InChIKey of (6E)-6-cyclohex-2-en-1-yl-2,3,4,5-tetrahydroazocine?
The InChIKey is ZGIGLTHXQRODSL-UBWQMIQVSA-N. The full InChI is InChI=1S/C13H19N/c1-2-6-12(7-3-1)13-8-4-5-10-14-11-9-13/h2,6,9,11-12H,1,3-5,7-8,10H2/b13-9+,14-11-.
What are the key properties of (6E)-6-cyclohex-2-en-1-yl-2,3,4,5-tetrahydroazocine?
(6E)-6-cyclohex-2-en-1-yl-2,3,4,5-tetrahydroazocine has a molecular weight of 189.30 g/mol, XLogP of 3.52, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6E)-6-cyclohex-2-en-1-yl-2,3,4,5-tetrahydroazocine is sourced from PubChem (CID 126707069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).