ethene;(5E,6Z)-5-ethylidene-4,6-dimethyl-7-propan-2-yl-3,4-dihydro-2H-azocine

C16H27N — CID 153397887

IUPACethene;(5E,6Z)-5-ethylidene-4,6-dimethyl-7-propan-2-yl-3,4-dihydro-2H-azocine
SMILESC/C=C1C(/C)=C(C(C)C)\C=N/CCC/1C.C=C
InChIInChI=1S/C14H23N.C2H4/c1-6-13-11(4)7-8-15-9-14(10(2)3)12(13)5;1-2/h6,9-11H,7-8H2,1-5H3;1-2H2/b13-6+,14-12+,15-9-;
InChIKeyDONSTQVIZGGBTK-AMHGJXFPSA-N
MW233.40 g/mol
LogP4.82
Rot. Bonds1

About ethene;(5E,6Z)-5-ethylidene-4,6-dimethyl-7-propan-2-yl-3,4-dihydro-2H-azocine

ethene;(5E,6Z)-5-ethylidene-4,6-dimethyl-7-propan-2-yl-3,4-dihydro-2H-azocine (PubChem CID 153397887) has the molecular formula C16H27N and a molecular weight of 233.40 g/mol. Its IUPAC name is ethene;(5E,6Z)-5-ethylidene-4,6-dimethyl-7-propan-2-yl-3,4-dihydro-2H-azocine.

Molecular Properties

Compound Nameethene;(5E,6Z)-5-ethylidene-4,6-dimethyl-7-propan-2-yl-3,4-dihydro-2H-azocine
PubChem CID153397887
Molecular FormulaC16H27N
Molecular Weight233.40 g/mol
Exact Mass233.21
IUPAC Nameethene;(5E,6Z)-5-ethylidene-4,6-dimethyl-7-propan-2-yl-3,4-dihydro-2H-azocine
SMILESC/C=C1C(/C)=C(C(C)C)\C=N/CCC/1C.C=C
InChIInChI=1S/C14H23N.C2H4/c1-6-13-11(4)7-8-15-9-14(10(2)3)12(13)5;1-2/h6,9-11H,7-8H2,1-5H3;1-2H2/b13-6+,14-12+,15-9-;
InChIKeyDONSTQVIZGGBTK-AMHGJXFPSA-N
XLogP4.82
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.40
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze ethene;(5E,6Z)-5-ethylidene-4,6-dimethyl-7-propan-2-yl-3,4-dihydro-2H-azocine with MolForge

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Related Compounds

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CID 156099727
(6Z)-5-ethylidene-4-fluoro-6-methyl-7-propan-2-yl-3,4-dihydro-2H-azocine
CID 174137830
(2Z)-2-ethylidene-N,4-dimethylhexan-1-imine
CID 87981822
N-[(2Z,4E,6E)-7-methyl-4-(2-methylbutyl)nona-2,4,6,8-tetraen-3-yl]prop-2-en-1-imine
CID 88267020
(Z,4S,5Z)-5-ethylidene-N,N,4-trimethyl-8-methyliminooct-6-en-1-amine
CID 89839678
5-methyl-5,6-dihydro-1H-cyclohepta[c]pyridine
CID 90839723
14-Cyclohexyl-7-methyl-12-(2-methylprop-2-enyl)-11-prop-2-enylidene-4-azabicyclo[6.6.0]tetradeca-1(14),4,8,9,12-pentaene
CID 90968452
N-methyl-2-(2-methylbutyl)hex-2-en-1-imine
CID 91384576
N-(5-cyclohexa-1,5-dien-1-yl-3-methylhept-1-en-4-yl)ethanimine
CID 118616768
4-(5,5-diethyl-6,9-dimethylcyclonona-1,6-dien-1-yl)-N-methyl-2-methylidenepent-3-en-1-imine
CID 123200197
2-ethylidene-6-methyl-N-(8-methyldecyl)heptan-1-imine
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Frequently Asked Questions

What is the IUPAC name of ethene;(5E,6Z)-5-ethylidene-4,6-dimethyl-7-propan-2-yl-3,4-dihydro-2H-azocine?
The IUPAC name of ethene;(5E,6Z)-5-ethylidene-4,6-dimethyl-7-propan-2-yl-3,4-dihydro-2H-azocine (CID 153397887) is ethene;(5E,6Z)-5-ethylidene-4,6-dimethyl-7-propan-2-yl-3,4-dihydro-2H-azocine.
What is the SMILES notation for ethene;(5E,6Z)-5-ethylidene-4,6-dimethyl-7-propan-2-yl-3,4-dihydro-2H-azocine?
The canonical SMILES for ethene;(5E,6Z)-5-ethylidene-4,6-dimethyl-7-propan-2-yl-3,4-dihydro-2H-azocine is C/C=C1C(/C)=C(C(C)C)\C=N/CCC/1C.C=C.
What is the InChIKey of ethene;(5E,6Z)-5-ethylidene-4,6-dimethyl-7-propan-2-yl-3,4-dihydro-2H-azocine?
The InChIKey is DONSTQVIZGGBTK-AMHGJXFPSA-N. The full InChI is InChI=1S/C14H23N.C2H4/c1-6-13-11(4)7-8-15-9-14(10(2)3)12(13)5;1-2/h6,9-11H,7-8H2,1-5H3;1-2H2/b13-6+,14-12+,15-9-;.
What are the key properties of ethene;(5E,6Z)-5-ethylidene-4,6-dimethyl-7-propan-2-yl-3,4-dihydro-2H-azocine?
ethene;(5E,6Z)-5-ethylidene-4,6-dimethyl-7-propan-2-yl-3,4-dihydro-2H-azocine has a molecular weight of 233.40 g/mol, XLogP of 4.82, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;(5E,6Z)-5-ethylidene-4,6-dimethyl-7-propan-2-yl-3,4-dihydro-2H-azocine is sourced from PubChem (CID 153397887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).