ethane;ethenyl-[(4Z)-4-ethenylhexa-1,4-dien-3-ylidene]-(2-methylpropyl)azanium

C18H34N+ — CID 155706575

IUPACethane;ethenyl-[(4Z)-4-ethenylhexa-1,4-dien-3-ylidene]-(2-methylpropyl)azanium
SMILESC=CC(/C(C=C)=C\C)=[N+](C=C)CC(C)C.CC.CC
InChIInChI=1S/C14H22N.2C2H6/c1-7-13(8-2)14(9-3)15(10-4)11-12(5)6;2*1-2/h7-10,12H,1,3-4,11H2,2,5-6H3;2*1-2H3/q+1;;/b13-8-,15-14+;;
InChIKeyOKCOFJHUQZNERA-KMMIRDCSSA-N
MW264.48 g/mol
LogP5.61
Rot. Bonds6

About ethane;ethenyl-[(4Z)-4-ethenylhexa-1,4-dien-3-ylidene]-(2-methylpropyl)azanium

ethane;ethenyl-[(4Z)-4-ethenylhexa-1,4-dien-3-ylidene]-(2-methylpropyl)azanium (PubChem CID 155706575) has the molecular formula C18H34N+ and a molecular weight of 264.48 g/mol. Its IUPAC name is ethane;ethenyl-[(4Z)-4-ethenylhexa-1,4-dien-3-ylidene]-(2-methylpropyl)azanium.

Molecular Properties

Compound Nameethane;ethenyl-[(4Z)-4-ethenylhexa-1,4-dien-3-ylidene]-(2-methylpropyl)azanium
PubChem CID155706575
Molecular FormulaC18H34N+
Molecular Weight264.48 g/mol
Exact Mass264.27
IUPAC Nameethane;ethenyl-[(4Z)-4-ethenylhexa-1,4-dien-3-ylidene]-(2-methylpropyl)azanium
SMILESC=CC(/C(C=C)=C\C)=[N+](C=C)CC(C)C.CC.CC
InChIInChI=1S/C14H22N.2C2H6/c1-7-13(8-2)14(9-3)15(10-4)11-12(5)6;2*1-2/h7-10,12H,1,3-4,11H2,2,5-6H3;2*1-2H3/q+1;;/b13-8-,15-14+;;
InChIKeyOKCOFJHUQZNERA-KMMIRDCSSA-N
XLogP5.61
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500264.48
LogP ≤ 55.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

ethane;(3Z,4Z)-4-ethenyl-3-ethylidenehexa-1,4-diene
CID 143132046
ethane;(3Z,4Z)-4-ethenyl-3-ethylidenehexa-1,4-diene
CID 142009215
ethane;N-[(3E,5Z)-5-ethenylhepta-1,3,5-trien-4-yl]methanimine;2-methylpropane
CID 178046177
ethyl 2-ethenylbut-2-enoate
CID 123198246
4-ethenyl-3-ethylidene-2-(1-fluoroethoxy)hexa-1,4-diene
CID 123931875
ethane;2-methylpropane;prop-1-ene
CID 142053608
(3Z,4Z,6Z)-4-ethenyl-3-ethylideneocta-1,4,6-triene;methane
CID 142141594
4-ethenyl-5-ethylideneocta-1,3,6-triene
CID 123583886
(3E,4E)-3-ethylidene-4-methylhepta-1,4-diene
CID 143688525
ethane;(2E)-2-ethenyl-N-(2-methylpropyl)penta-2,4-dienamide
CID 143734508
(3Z)-3-ethylidene-5-methoxyhex-1-ene
CID 145145637
(3E)-3-(1-ethoxyethyl)penta-1,3-diene
CID 143486884

Frequently Asked Questions

What is the IUPAC name of ethane;ethenyl-[(4Z)-4-ethenylhexa-1,4-dien-3-ylidene]-(2-methylpropyl)azanium?
The IUPAC name of ethane;ethenyl-[(4Z)-4-ethenylhexa-1,4-dien-3-ylidene]-(2-methylpropyl)azanium (CID 155706575) is ethane;ethenyl-[(4Z)-4-ethenylhexa-1,4-dien-3-ylidene]-(2-methylpropyl)azanium.
What is the SMILES notation for ethane;ethenyl-[(4Z)-4-ethenylhexa-1,4-dien-3-ylidene]-(2-methylpropyl)azanium?
The canonical SMILES for ethane;ethenyl-[(4Z)-4-ethenylhexa-1,4-dien-3-ylidene]-(2-methylpropyl)azanium is C=CC(/C(C=C)=C\C)=[N+](C=C)CC(C)C.CC.CC.
What is the InChIKey of ethane;ethenyl-[(4Z)-4-ethenylhexa-1,4-dien-3-ylidene]-(2-methylpropyl)azanium?
The InChIKey is OKCOFJHUQZNERA-KMMIRDCSSA-N. The full InChI is InChI=1S/C14H22N.2C2H6/c1-7-13(8-2)14(9-3)15(10-4)11-12(5)6;2*1-2/h7-10,12H,1,3-4,11H2,2,5-6H3;2*1-2H3/q+1;;/b13-8-,15-14+;;.
What are the key properties of ethane;ethenyl-[(4Z)-4-ethenylhexa-1,4-dien-3-ylidene]-(2-methylpropyl)azanium?
ethane;ethenyl-[(4Z)-4-ethenylhexa-1,4-dien-3-ylidene]-(2-methylpropyl)azanium has a molecular weight of 264.48 g/mol, XLogP of 5.61, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;ethenyl-[(4Z)-4-ethenylhexa-1,4-dien-3-ylidene]-(2-methylpropyl)azanium is sourced from PubChem (CID 155706575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).