7-ethyl-7-hex-2-enyl-3,4,5,6-tetrahydro-2H-azocine

C15H27N — CID 123154718

IUPAC7-ethyl-7-hex-2-enyl-3,4,5,6-tetrahydro-2H-azocine
SMILESCCCC=CCC1(CC)/C=N\CCCCC1
InChIInChI=1S/C15H27N/c1-3-5-6-8-11-15(4-2)12-9-7-10-13-16-14-15/h6,8,14H,3-5,7,9-13H2,1-2H3/b8-6?,16-14-
InChIKeyVBIBBNTXYCVSAF-LXMSGDBZSA-N
MW221.39 g/mol
LogP4.77
Rot. Bonds5

About 7-ethyl-7-hex-2-enyl-3,4,5,6-tetrahydro-2H-azocine

7-ethyl-7-hex-2-enyl-3,4,5,6-tetrahydro-2H-azocine (PubChem CID 123154718) has the molecular formula C15H27N and a molecular weight of 221.39 g/mol. Its IUPAC name is 7-ethyl-7-hex-2-enyl-3,4,5,6-tetrahydro-2H-azocine.

Molecular Properties

Compound Name7-ethyl-7-hex-2-enyl-3,4,5,6-tetrahydro-2H-azocine
PubChem CID123154718
Molecular FormulaC15H27N
Molecular Weight221.39 g/mol
Exact Mass221.21
IUPAC Name7-ethyl-7-hex-2-enyl-3,4,5,6-tetrahydro-2H-azocine
SMILESCCCC=CCC1(CC)/C=N\CCCCC1
InChIInChI=1S/C15H27N/c1-3-5-6-8-11-15(4-2)12-9-7-10-13-16-14-15/h6,8,14H,3-5,7,9-13H2,1-2H3/b8-6?,16-14-
InChIKeyVBIBBNTXYCVSAF-LXMSGDBZSA-N
XLogP4.77
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.39
LogP ≤ 54.77
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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2-Azaspiro[5.5]undeca-1,7-diene
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2-Methyl-2-azoniaspiro[5.5]undeca-1,10-diene
CID 20403156
2-Methyl-2-azoniaspiro-[5.5]undeca-1,7-diene iodide
CID 20403171
(4Z,8Z)-11-methyl-2-pentan-2-yl-11-propyl-1-azacyclododeca-4,8,12-triene
CID 20436107
(4Z,8Z)-11-butyl-11-ethyl-2-heptan-3-yl-1-azacyclododeca-4,8,12-triene
CID 20436140
(4E,8E)-11-methyl-2-pentan-2-yl-11-propyl-1-azacyclododeca-4,8,12-triene
CID 22811540
(4E,8E)-11-butyl-11-ethyl-2-heptan-3-yl-1-azacyclododeca-4,8,12-triene
CID 22811544
9,9-Dimethyl-7-azaspiro[5.11]heptadeca-7,11,15-triene
CID 53681121
11-Methyl-2-pentan-2-yl-11-propyl-1-azacyclododeca-4,8,12-triene
CID 53803190
3-Ethyl-3-n-butyl-12-(3-heptyl)-1-aza-1,5,9-cyclododecatriene
CID 54478278

Frequently Asked Questions

What is the IUPAC name of 7-ethyl-7-hex-2-enyl-3,4,5,6-tetrahydro-2H-azocine?
The IUPAC name of 7-ethyl-7-hex-2-enyl-3,4,5,6-tetrahydro-2H-azocine (CID 123154718) is 7-ethyl-7-hex-2-enyl-3,4,5,6-tetrahydro-2H-azocine.
What is the SMILES notation for 7-ethyl-7-hex-2-enyl-3,4,5,6-tetrahydro-2H-azocine?
The canonical SMILES for 7-ethyl-7-hex-2-enyl-3,4,5,6-tetrahydro-2H-azocine is CCCC=CCC1(CC)/C=N\CCCCC1.
What is the InChIKey of 7-ethyl-7-hex-2-enyl-3,4,5,6-tetrahydro-2H-azocine?
The InChIKey is VBIBBNTXYCVSAF-LXMSGDBZSA-N. The full InChI is InChI=1S/C15H27N/c1-3-5-6-8-11-15(4-2)12-9-7-10-13-16-14-15/h6,8,14H,3-5,7,9-13H2,1-2H3/b8-6?,16-14-.
What are the key properties of 7-ethyl-7-hex-2-enyl-3,4,5,6-tetrahydro-2H-azocine?
7-ethyl-7-hex-2-enyl-3,4,5,6-tetrahydro-2H-azocine has a molecular weight of 221.39 g/mol, XLogP of 4.77, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-7-hex-2-enyl-3,4,5,6-tetrahydro-2H-azocine is sourced from PubChem (CID 123154718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).