2-[(E)-2-(3,5-dimethylphenyl)ethenyl]azocane

C17H25N — CID 114239669

IUPAC2-[(E)-2-(3,5-dimethylphenyl)ethenyl]azocane
SMILESCc1cc(C)cc(/C=C/C2CCCCCCN2)c1
InChIInChI=1S/C17H25N/c1-14-11-15(2)13-16(12-14)8-9-17-7-5-3-4-6-10-18-17/h8-9,11-13,17-18H,3-7,10H2,1-2H3/b9-8+
InChIKeyCCICCZVFYXCHSW-CMDGGOBGSA-N
MW243.39 g/mol
LogP4.24
Rot. Bonds2

About 2-[(E)-2-(3,5-dimethylphenyl)ethenyl]azocane

2-[(E)-2-(3,5-dimethylphenyl)ethenyl]azocane (PubChem CID 114239669) has the molecular formula C17H25N and a molecular weight of 243.39 g/mol. Its IUPAC name is 2-[(E)-2-(3,5-dimethylphenyl)ethenyl]azocane.

Molecular Properties

Compound Name2-[(E)-2-(3,5-dimethylphenyl)ethenyl]azocane
PubChem CID114239669
Molecular FormulaC17H25N
Molecular Weight243.39 g/mol
Exact Mass243.20
IUPAC Name2-[(E)-2-(3,5-dimethylphenyl)ethenyl]azocane
SMILESCc1cc(C)cc(/C=C/C2CCCCCCN2)c1
InChIInChI=1S/C17H25N/c1-14-11-15(2)13-16(12-14)8-9-17-7-5-3-4-6-10-18-17/h8-9,11-13,17-18H,3-7,10H2,1-2H3/b9-8+
InChIKeyCCICCZVFYXCHSW-CMDGGOBGSA-N
XLogP4.24
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(2R)-2-[(Z)-2-phenylethenyl]azepane
CID 97289892
2-[(E)-2-(2,4-dimethylphenyl)ethenyl]piperidine
CID 104703670
2-[(E)-2-(4-fluorophenyl)ethenyl]piperidine;hydrochloride
CID 126844801
2-[(E)-2-(3,5-difluorophenyl)ethenyl]pyrrolidine;hydrochloride
CID 126844673
2-[(E)-2-(2,6-dimethylphenyl)ethenyl]piperidine
CID 45097432
2-(2-phenylethenyl)pyrrolidine
CID 3705120
2-[(E)-2-(3-fluoro-4-methoxyphenyl)ethenyl]piperidine
CID 104703643
2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]piperidine
CID 113443116
2-[(E)-2-(2-methoxyphenyl)ethenyl]azepane
CID 104703913
2-[(E)-2-[4-(difluoromethoxy)phenyl]ethenyl]piperidine
CID 113443105
2-[(E)-2-(2-fluorophenyl)ethenyl]azocane
CID 114239682
2-[(E)-2-(2,4-difluorophenyl)ethenyl]piperidine
CID 104703649

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-(3,5-dimethylphenyl)ethenyl]azocane?
The IUPAC name of 2-[(E)-2-(3,5-dimethylphenyl)ethenyl]azocane (CID 114239669) is 2-[(E)-2-(3,5-dimethylphenyl)ethenyl]azocane.
What is the SMILES notation for 2-[(E)-2-(3,5-dimethylphenyl)ethenyl]azocane?
The canonical SMILES for 2-[(E)-2-(3,5-dimethylphenyl)ethenyl]azocane is Cc1cc(C)cc(/C=C/C2CCCCCCN2)c1.
What is the InChIKey of 2-[(E)-2-(3,5-dimethylphenyl)ethenyl]azocane?
The InChIKey is CCICCZVFYXCHSW-CMDGGOBGSA-N. The full InChI is InChI=1S/C17H25N/c1-14-11-15(2)13-16(12-14)8-9-17-7-5-3-4-6-10-18-17/h8-9,11-13,17-18H,3-7,10H2,1-2H3/b9-8+.
What are the key properties of 2-[(E)-2-(3,5-dimethylphenyl)ethenyl]azocane?
2-[(E)-2-(3,5-dimethylphenyl)ethenyl]azocane has a molecular weight of 243.39 g/mol, XLogP of 4.24, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-(3,5-dimethylphenyl)ethenyl]azocane is sourced from PubChem (CID 114239669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).