ethane;(2Z,4Z)-2-[(Z)-prop-1-enyl]-3-N-propylidenehexa-2,4-diene-1,3-diimine

C14H24N2 — CID 142875401

IUPACethane;(2Z,4Z)-2-[(Z)-prop-1-enyl]-3-N-propylidenehexa-2,4-diene-1,3-diimine
SMILESCC.[H]/N=C/C(/C=C\C)=C(/C=C\C)\N=C\CC
InChIInChI=1S/C12H18N2.C2H6/c1-4-7-11(10-13)12(8-5-2)14-9-6-3;1-2/h4-5,7-10,13H,6H2,1-3H3;1-2H3/b7-4-,8-5-,12-11-,13-10+,14-9+;
InChIKeyJFUICISEQUTYRX-PVTGSVQMSA-N
MW220.36 g/mol
LogP4.55
Rot. Bonds5

About ethane;(2Z,4Z)-2-[(Z)-prop-1-enyl]-3-N-propylidenehexa-2,4-diene-1,3-diimine

ethane;(2Z,4Z)-2-[(Z)-prop-1-enyl]-3-N-propylidenehexa-2,4-diene-1,3-diimine (PubChem CID 142875401) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is ethane;(2Z,4Z)-2-[(Z)-prop-1-enyl]-3-N-propylidenehexa-2,4-diene-1,3-diimine.

Molecular Properties

Compound Nameethane;(2Z,4Z)-2-[(Z)-prop-1-enyl]-3-N-propylidenehexa-2,4-diene-1,3-diimine
PubChem CID142875401
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC Nameethane;(2Z,4Z)-2-[(Z)-prop-1-enyl]-3-N-propylidenehexa-2,4-diene-1,3-diimine
SMILESCC.[H]/N=C/C(/C=C\C)=C(/C=C\C)\N=C\CC
InChIInChI=1S/C12H18N2.C2H6/c1-4-7-11(10-13)12(8-5-2)14-9-6-3;1-2/h4-5,7-10,13H,6H2,1-3H3;1-2H3/b7-4-,8-5-,12-11-,13-10+,14-9+;
InChIKeyJFUICISEQUTYRX-PVTGSVQMSA-N
XLogP4.55
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-ethenyl-9-fluoro-2-methyl-10-N-methylidene-3-penta-1,3,4-trienyl-4-prop-1-enylideneundeca-2,5,8,10-tetraene-1,10-diimine
CID 123938860
(E)-N-[(2E,5E)-3-fluoro-4-methylidenehepta-2,5-dien-2-yl]but-2-en-1-imine
CID 163875287
(2E)-2-[(1Z)-1-(ethylideneamino)buta-1,3-dienyl]-3-(fluoromethyl)hexa-2,5-dienimidoyl fluoride
CID 167120260
(5E)-4-(C,N-dimethylcarbonimidoyl)-6-fluoro-2-methylocta-1,3,5,7-tetraen-3-amine
CID 173707405
2-(6H-indol-3-yl)ethanimine
CID 11840987
(Z)-2-[(E)-2-(buta-1,3-dien-2-yliminomethyl)-3,3,3-trifluoroprop-1-enyl]but-2-ene-1,3-diamine
CID 168203154
(3Z,5E,6E)-5-[1-(ethylideneamino)ethylidene]-6-fluoro-3-methyldeca-3,6-dien-4-amine
CID 177018825
5-(cyclopenta-2,4-dien-1-ylidenemethyl)-4-methyl-3H-pyrrole
CID 59839732
(3Z)-3-(methyliminomethyl)hexa-1,3-dien-2-amine
CID 60123978
(3Z)-3-(ethenyliminomethyl)hexa-1,3-dien-2-amine;yttrium
CID 60125184
5-ethenyl-4-[(Z)-prop-1-enyl]-3H-pyrrole
CID 68300548
7-Methylindol-6-imine
CID 69466877

Frequently Asked Questions

What is the IUPAC name of ethane;(2Z,4Z)-2-[(Z)-prop-1-enyl]-3-N-propylidenehexa-2,4-diene-1,3-diimine?
The IUPAC name of ethane;(2Z,4Z)-2-[(Z)-prop-1-enyl]-3-N-propylidenehexa-2,4-diene-1,3-diimine (CID 142875401) is ethane;(2Z,4Z)-2-[(Z)-prop-1-enyl]-3-N-propylidenehexa-2,4-diene-1,3-diimine.
What is the SMILES notation for ethane;(2Z,4Z)-2-[(Z)-prop-1-enyl]-3-N-propylidenehexa-2,4-diene-1,3-diimine?
The canonical SMILES for ethane;(2Z,4Z)-2-[(Z)-prop-1-enyl]-3-N-propylidenehexa-2,4-diene-1,3-diimine is CC.[H]/N=C/C(/C=C\C)=C(/C=C\C)\N=C\CC.
What is the InChIKey of ethane;(2Z,4Z)-2-[(Z)-prop-1-enyl]-3-N-propylidenehexa-2,4-diene-1,3-diimine?
The InChIKey is JFUICISEQUTYRX-PVTGSVQMSA-N. The full InChI is InChI=1S/C12H18N2.C2H6/c1-4-7-11(10-13)12(8-5-2)14-9-6-3;1-2/h4-5,7-10,13H,6H2,1-3H3;1-2H3/b7-4-,8-5-,12-11-,13-10+,14-9+;.
What are the key properties of ethane;(2Z,4Z)-2-[(Z)-prop-1-enyl]-3-N-propylidenehexa-2,4-diene-1,3-diimine?
ethane;(2Z,4Z)-2-[(Z)-prop-1-enyl]-3-N-propylidenehexa-2,4-diene-1,3-diimine has a molecular weight of 220.36 g/mol, XLogP of 4.55, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(2Z,4Z)-2-[(Z)-prop-1-enyl]-3-N-propylidenehexa-2,4-diene-1,3-diimine is sourced from PubChem (CID 142875401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).