5-ethylidene-N-prop-2-enylspiro[2.5]octan-8-imine

C13H19N — CID 123214256

IUPAC5-ethylidene-N-prop-2-enylspiro[2.5]octan-8-imine
SMILESC=CC/N=C1\CCC(=CC)CC12CC2
InChIInChI=1S/C13H19N/c1-3-9-14-12-6-5-11(4-2)10-13(12)7-8-13/h3-4H,1,5-10H2,2H3/b11-4?,14-12+
InChIKeyZIILAJVYOSSRJQ-DJFYYXFKSA-N
MW189.30 g/mol
LogP3.52
Rot. Bonds2

About 5-ethylidene-N-prop-2-enylspiro[2.5]octan-8-imine

5-ethylidene-N-prop-2-enylspiro[2.5]octan-8-imine (PubChem CID 123214256) has the molecular formula C13H19N and a molecular weight of 189.30 g/mol. Its IUPAC name is 5-ethylidene-N-prop-2-enylspiro[2.5]octan-8-imine.

Molecular Properties

Compound Name5-ethylidene-N-prop-2-enylspiro[2.5]octan-8-imine
PubChem CID123214256
Molecular FormulaC13H19N
Molecular Weight189.30 g/mol
Exact Mass189.15
IUPAC Name5-ethylidene-N-prop-2-enylspiro[2.5]octan-8-imine
SMILESC=CC/N=C1\CCC(=CC)CC12CC2
InChIInChI=1S/C13H19N/c1-3-9-14-12-6-5-11(4-2)10-13(12)7-8-13/h3-4H,1,5-10H2,2H3/b11-4?,14-12+
InChIKeyZIILAJVYOSSRJQ-DJFYYXFKSA-N
XLogP3.52
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
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': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

Ethyl-(3,5,5-trimethyl-cyclohex-2-enylidene)-amine
CID 11205971
(1Z)-3,5,5-Trimethyl-N-(prop-2-en-1-yl)cyclohex-2-en-1-imine
CID 238062
(5E,9E)-2-[2-(1-propylcyclohexyl)ethyl]-1-azacyclododeca-1,5,9-triene
CID 22816624
2-(3,3-Dimethyl-5-prop-2-enyliminocyclohexylidene)propanedinitrile
CID 91406600
1-(1-ethylcyclopropyl)-5,5-dimethyl-4-methylidene-N-prop-2-enylhexan-1-imine
CID 123408585
N-(2-methylprop-2-enyl)-5-prop-2-enylidenespiro[2.5]octan-8-imine
CID 123925025
(2Z)-2-ethylidene-N,4,4-trimethylcyclohexan-1-imine
CID 123994519
5-[2-(4,4-dimethylpent-1-en-2-yl)cyclopropyl]-3-methyl-2H-pyrrole
CID 129025353
(3Z)-3-ethylidene-5,5,6-trimethyl-2-propyl-2,4-dihydropyridine
CID 134426211
(2Z)-N-ethyl-2-ethylidene-6-methylbicyclo[4.1.0]hept-4-en-3-imine
CID 143043506
1-(4,4-dimethylcyclohexen-1-yl)-N-ethenylethanimine
CID 144570262
5-(1-methylcyclopropyl)-4-propan-2-yl-2H-pyrrole
CID 153178008

Frequently Asked Questions

What is the IUPAC name of 5-ethylidene-N-prop-2-enylspiro[2.5]octan-8-imine?
The IUPAC name of 5-ethylidene-N-prop-2-enylspiro[2.5]octan-8-imine (CID 123214256) is 5-ethylidene-N-prop-2-enylspiro[2.5]octan-8-imine.
What is the SMILES notation for 5-ethylidene-N-prop-2-enylspiro[2.5]octan-8-imine?
The canonical SMILES for 5-ethylidene-N-prop-2-enylspiro[2.5]octan-8-imine is C=CC/N=C1\CCC(=CC)CC12CC2.
What is the InChIKey of 5-ethylidene-N-prop-2-enylspiro[2.5]octan-8-imine?
The InChIKey is ZIILAJVYOSSRJQ-DJFYYXFKSA-N. The full InChI is InChI=1S/C13H19N/c1-3-9-14-12-6-5-11(4-2)10-13(12)7-8-13/h3-4H,1,5-10H2,2H3/b11-4?,14-12+.
What are the key properties of 5-ethylidene-N-prop-2-enylspiro[2.5]octan-8-imine?
5-ethylidene-N-prop-2-enylspiro[2.5]octan-8-imine has a molecular weight of 189.30 g/mol, XLogP of 3.52, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethylidene-N-prop-2-enylspiro[2.5]octan-8-imine is sourced from PubChem (CID 123214256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).