N-(2-methylprop-2-enyl)-5-prop-2-enylidenespiro[2.5]octan-8-imine

C15H21N — CID 123925025

IUPACN-(2-methylprop-2-enyl)-5-prop-2-enylidenespiro[2.5]octan-8-imine
SMILESC=CC=C1CC/C(=N\CC(=C)C)C2(CC2)C1
InChIInChI=1S/C15H21N/c1-4-5-13-6-7-14(16-11-12(2)3)15(10-13)8-9-15/h4-5H,1-2,6-11H2,3H3/b13-5?,16-14+
InChIKeyATRYVBGHXNBUJT-ZOGTVQCMSA-N
MW215.34 g/mol
LogP4.08
Rot. Bonds3

About N-(2-methylprop-2-enyl)-5-prop-2-enylidenespiro[2.5]octan-8-imine

N-(2-methylprop-2-enyl)-5-prop-2-enylidenespiro[2.5]octan-8-imine (PubChem CID 123925025) has the molecular formula C15H21N and a molecular weight of 215.34 g/mol. Its IUPAC name is N-(2-methylprop-2-enyl)-5-prop-2-enylidenespiro[2.5]octan-8-imine.

Molecular Properties

Compound NameN-(2-methylprop-2-enyl)-5-prop-2-enylidenespiro[2.5]octan-8-imine
PubChem CID123925025
Molecular FormulaC15H21N
Molecular Weight215.34 g/mol
Exact Mass215.17
IUPAC NameN-(2-methylprop-2-enyl)-5-prop-2-enylidenespiro[2.5]octan-8-imine
SMILESC=CC=C1CC/C(=N\CC(=C)C)C2(CC2)C1
InChIInChI=1S/C15H21N/c1-4-5-13-6-7-14(16-11-12(2)3)15(10-13)8-9-15/h4-5H,1-2,6-11H2,3H3/b13-5?,16-14+
InChIKeyATRYVBGHXNBUJT-ZOGTVQCMSA-N
XLogP4.08
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 54.08
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

(1Z)-3,5,5-Trimethyl-N-(prop-2-en-1-yl)cyclohex-2-en-1-imine
CID 238062
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CID 22816624
5-ethylidene-N-prop-2-enylspiro[2.5]octan-8-imine
CID 123214256
1-(1-ethylcyclopropyl)-5,5-dimethyl-4-methylidene-N-prop-2-enylhexan-1-imine
CID 123408585
5-[2-(4,4-dimethylpent-1-en-2-yl)cyclopropyl]-3-methyl-2H-pyrrole
CID 129025353
(3E,5E,7E)-N,6-dimethyl-8-(2,6,6-trimethylcyclohexen-1-yl)octa-3,5,7-trien-2-imine
CID 130340232
6-[(3E,5Z)-2-methyl-3-prop-1-en-2-ylhepta-3,5-dien-2-yl]-2,3,4,5-tetrahydropyridine
CID 145552043
(3E,11E)-4-[(1-ethylcyclohexyl)methyl]-N,2,3,11-tetramethyl-10-methylidenetrideca-1,3,11-trien-5-imine
CID 156216833
3-(Cyclohexa-1,3-dien-1-ylmethyl)-5-ethyl-3-(2-methylpropyl)-2,4-dihydropyrrole
CID 170215521
3-cyclohexyl-8-[(3Z)-5-cyclopropyl-4-methylpenta-1,3-dien-3-yl]-3-methyl-4,5-dihydro-2H-azocine
CID 173970816
5-(1-butan-2-ylcyclopropyl)-4-methyl-2H-1-benzazepine
CID 176962091
(5Z)-1-ethenyl-3,6-dimethyl-4-methylidene-5-prop-2-enylidene-2-azabicyclo[4.1.0]hept-2-ene
CID 143708021

Frequently Asked Questions

What is the IUPAC name of N-(2-methylprop-2-enyl)-5-prop-2-enylidenespiro[2.5]octan-8-imine?
The IUPAC name of N-(2-methylprop-2-enyl)-5-prop-2-enylidenespiro[2.5]octan-8-imine (CID 123925025) is N-(2-methylprop-2-enyl)-5-prop-2-enylidenespiro[2.5]octan-8-imine.
What is the SMILES notation for N-(2-methylprop-2-enyl)-5-prop-2-enylidenespiro[2.5]octan-8-imine?
The canonical SMILES for N-(2-methylprop-2-enyl)-5-prop-2-enylidenespiro[2.5]octan-8-imine is C=CC=C1CC/C(=N\CC(=C)C)C2(CC2)C1.
What is the InChIKey of N-(2-methylprop-2-enyl)-5-prop-2-enylidenespiro[2.5]octan-8-imine?
The InChIKey is ATRYVBGHXNBUJT-ZOGTVQCMSA-N. The full InChI is InChI=1S/C15H21N/c1-4-5-13-6-7-14(16-11-12(2)3)15(10-13)8-9-15/h4-5H,1-2,6-11H2,3H3/b13-5?,16-14+.
What are the key properties of N-(2-methylprop-2-enyl)-5-prop-2-enylidenespiro[2.5]octan-8-imine?
N-(2-methylprop-2-enyl)-5-prop-2-enylidenespiro[2.5]octan-8-imine has a molecular weight of 215.34 g/mol, XLogP of 4.08, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylprop-2-enyl)-5-prop-2-enylidenespiro[2.5]octan-8-imine is sourced from PubChem (CID 123925025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).