3,4-di(ethylidene)-8-methanidyl-8-azoniaspiro[4.5]dec-1-ene

C14H21N — CID 76697175

IUPAC3,4-di(ethylidene)-8-methanidyl-8-azoniaspiro[4.5]dec-1-ene
SMILES[CH2-][NH+]1CCC2(C=CC(=CC)C2=CC)CC1
InChIInChI=1S/C14H21N/c1-4-12-6-7-14(13(12)5-2)8-10-15(3)11-9-14/h4-7,15H,3,8-11H2,1-2H3
InChIKeyFHAHEIKCNUAGHB-UHFFFAOYSA-N
MW203.33 g/mol
LogP1.91
Rot. Bonds

About 3,4-di(ethylidene)-8-methanidyl-8-azoniaspiro[4.5]dec-1-ene

3,4-di(ethylidene)-8-methanidyl-8-azoniaspiro[4.5]dec-1-ene (PubChem CID 76697175) has the molecular formula C14H21N and a molecular weight of 203.33 g/mol. Its IUPAC name is 3,4-di(ethylidene)-8-methanidyl-8-azoniaspiro[4.5]dec-1-ene.

Molecular Properties

Compound Name3,4-di(ethylidene)-8-methanidyl-8-azoniaspiro[4.5]dec-1-ene
PubChem CID76697175
Molecular FormulaC14H21N
Molecular Weight203.33 g/mol
Exact Mass203.17
IUPAC Name3,4-di(ethylidene)-8-methanidyl-8-azoniaspiro[4.5]dec-1-ene
SMILES[CH2-][NH+]1CCC2(C=CC(=CC)C2=CC)CC1
InChIInChI=1S/C14H21N/c1-4-12-6-7-14(13(12)5-2)8-10-15(3)11-9-14/h4-7,15H,3,8-11H2,1-2H3
InChIKeyFHAHEIKCNUAGHB-UHFFFAOYSA-N
XLogP1.91
TPSA4.44 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2-Azaspiro[5.5]undec-8-ene
CID 13106448
4-Cyclopenta-1,3-dien-1-yl-1-methylpiperidine
CID 12982244
(S)-3-Allyl-3-ethylpiperidine
CID 53495113
4-[(2E,4E)-5-fluoro-2-methylhepta-2,4,6-trienyl]piperidine-4-carbonitrile
CID 89060682
4-Cyclohexa-1,3-dien-1-yl-4-(2,2-difluoroethyl)piperidine
CID 117950631
2-(5-Fluorohexa-1,3,5-trien-3-yl)-7-azaspiro[3.5]non-2-ene
CID 123336996
3-Ethyl-3-[(6-fluorocyclohexa-1,3-dien-1-yl)methyl]piperidine
CID 123407439
(3R)-3-[(2E,4Z)-3-fluoro-4-methylhepta-2,4,6-trienyl]piperidine
CID 134292370
4-(2-Fluoro-6-methylcyclohexa-1,3-dien-1-yl)piperidine
CID 143792374
3-[(3E,5Z)-3-fluoro-2-methylidenehepta-3,5-dienyl]-3-methylpiperidine
CID 144407199
4-[(2E,3Z)-2-ethylidene-1,1-difluorohexa-3,5-dienyl]piperidine
CID 153536674
(10Z,12E)-12-fluoro-15-methylidene-3,8-diazaspiro[5.10]hexadeca-10,12-diene
CID 155573741

Frequently Asked Questions

What is the IUPAC name of 3,4-di(ethylidene)-8-methanidyl-8-azoniaspiro[4.5]dec-1-ene?
The IUPAC name of 3,4-di(ethylidene)-8-methanidyl-8-azoniaspiro[4.5]dec-1-ene (CID 76697175) is 3,4-di(ethylidene)-8-methanidyl-8-azoniaspiro[4.5]dec-1-ene.
What is the SMILES notation for 3,4-di(ethylidene)-8-methanidyl-8-azoniaspiro[4.5]dec-1-ene?
The canonical SMILES for 3,4-di(ethylidene)-8-methanidyl-8-azoniaspiro[4.5]dec-1-ene is [CH2-][NH+]1CCC2(C=CC(=CC)C2=CC)CC1.
What is the InChIKey of 3,4-di(ethylidene)-8-methanidyl-8-azoniaspiro[4.5]dec-1-ene?
The InChIKey is FHAHEIKCNUAGHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N/c1-4-12-6-7-14(13(12)5-2)8-10-15(3)11-9-14/h4-7,15H,3,8-11H2,1-2H3.
What are the key properties of 3,4-di(ethylidene)-8-methanidyl-8-azoniaspiro[4.5]dec-1-ene?
3,4-di(ethylidene)-8-methanidyl-8-azoniaspiro[4.5]dec-1-ene has a molecular weight of 203.33 g/mol, XLogP of 1.91, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-di(ethylidene)-8-methanidyl-8-azoniaspiro[4.5]dec-1-ene is sourced from PubChem (CID 76697175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).