ethane;(E)-3-[1-(4-ethenylcyclohexa-1,3-dien-1-yl)ethylideneamino]-N,2-dimethylprop-2-en-1-amine;molecular hydrogen

C17H30N2 — CID 142025148

IUPACethane;(E)-3-[1-(4-ethenylcyclohexa-1,3-dien-1-yl)ethylideneamino]-N,2-dimethylprop-2-en-1-amine;molecular hydrogen
SMILESC=CC1=CC=C(/C(C)=N/C=C(\C)CNC)CC1.CC.[H][H]
InChIInChI=1S/C15H22N2.C2H6.H2/c1-5-14-6-8-15(9-7-14)13(3)17-11-12(2)10-16-4;1-2;/h5-6,8,11,16H,1,7,9-10H2,2-4H3;1-2H3;1H/b12-11+,17-13+;;
InChIKeyQHJFOTXITDZXRW-DWYKKOCSSA-N
MW262.44 g/mol
LogP4.68
Rot. Bonds5

About ethane;(E)-3-[1-(4-ethenylcyclohexa-1,3-dien-1-yl)ethylideneamino]-N,2-dimethylprop-2-en-1-amine;molecular hydrogen

ethane;(E)-3-[1-(4-ethenylcyclohexa-1,3-dien-1-yl)ethylideneamino]-N,2-dimethylprop-2-en-1-amine;molecular hydrogen (PubChem CID 142025148) has the molecular formula C17H30N2 and a molecular weight of 262.44 g/mol. Its IUPAC name is ethane;(E)-3-[1-(4-ethenylcyclohexa-1,3-dien-1-yl)ethylideneamino]-N,2-dimethylprop-2-en-1-amine;molecular hydrogen.

Molecular Properties

Compound Nameethane;(E)-3-[1-(4-ethenylcyclohexa-1,3-dien-1-yl)ethylideneamino]-N,2-dimethylprop-2-en-1-amine;molecular hydrogen
PubChem CID142025148
Molecular FormulaC17H30N2
Molecular Weight262.44 g/mol
Exact Mass262.24
IUPAC Nameethane;(E)-3-[1-(4-ethenylcyclohexa-1,3-dien-1-yl)ethylideneamino]-N,2-dimethylprop-2-en-1-amine;molecular hydrogen
SMILESC=CC1=CC=C(/C(C)=N/C=C(\C)CNC)CC1.CC.[H][H]
InChIInChI=1S/C15H22N2.C2H6.H2/c1-5-14-6-8-15(9-7-14)13(3)17-11-12(2)10-16-4;1-2;/h5-6,8,11,16H,1,7,9-10H2,2-4H3;1-2H3;1H/b12-11+,17-13+;;
InChIKeyQHJFOTXITDZXRW-DWYKKOCSSA-N
XLogP4.68
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.44
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2E,4E)-N-[[3-[(Z)-but-1-enyl]imino-4-iminocyclohexa-1,5-dien-1-yl]methyl]-5-fluoro-4-methylhepta-2,4,6-trien-3-amine
CID 176561633
2-[1-(1,2-Dihydropyridin-2-yl)ethenyl]-3,4-dihydropyridine
CID 89188300
7-methyl-5-(1,2,3,6-tetrahydropyridin-4-yl)-4H-azepine
CID 123690321
(4E,7Z)-4,13-dimethyl-2-N-[(E)-3-(4-methylidene-1-pyridinyl)prop-1-enyl]tetradeca-4,7,9,13-tetraene-2,3-diimine
CID 123920861
(3Z,5E,7E,9E)-7-ethenyl-N-methyl-9-[(3Z)-6-methyl-3-[(Z)-3-(methylideneamino)prop-2-enylidene]-2H-pyridin-4-yl]-6-[(E)-prop-1-enyl]undeca-3,5,7,9-tetraen-1-amine
CID 134188582
(E,3E)-3-cyclohexa-2,4-dien-1-ylidene-2-[1-(methylamino)butan-2-ylideneamino]but-1-en-1-amine
CID 138461541
(1Z,4Z,5Z)-4-ethylidene-2-(3-ethyliminopropyl)-6-methyl-N-prop-2-enylocta-1,5-dien-1-amine
CID 138528326
(2Z,4E,6Z)-3-ethenyl-5-(N-ethenyl-C-methylcarbonimidoyl)-N,2,4-trimethylocta-2,4,6-trien-1-amine
CID 138750425
(Z)-N-methyl-1-[5-methyl-6-[(Z)-5-(1,2,3,6-tetrahydropyridin-5-yl)pent-4-enyl]cyclohexa-1,5-dien-1-yl]but-2-en-1-imine
CID 139353322
6-imino-N-methyl-2-[(Z)-prop-1-enyl]cyclohexen-1-amine
CID 142339835
(Z)-2-N-methyl-4-N-methylidene-3-(1,2,3,6-tetrahydropyridin-4-yl)but-3-ene-2,4-diimine
CID 143998352
4,5-bis(ethenyl)-2-[(E)-hept-2-en-3-yl]-N-methyl-3H-pyrrol-3-amine
CID 144206681

Frequently Asked Questions

What is the IUPAC name of ethane;(E)-3-[1-(4-ethenylcyclohexa-1,3-dien-1-yl)ethylideneamino]-N,2-dimethylprop-2-en-1-amine;molecular hydrogen?
The IUPAC name of ethane;(E)-3-[1-(4-ethenylcyclohexa-1,3-dien-1-yl)ethylideneamino]-N,2-dimethylprop-2-en-1-amine;molecular hydrogen (CID 142025148) is ethane;(E)-3-[1-(4-ethenylcyclohexa-1,3-dien-1-yl)ethylideneamino]-N,2-dimethylprop-2-en-1-amine;molecular hydrogen.
What is the SMILES notation for ethane;(E)-3-[1-(4-ethenylcyclohexa-1,3-dien-1-yl)ethylideneamino]-N,2-dimethylprop-2-en-1-amine;molecular hydrogen?
The canonical SMILES for ethane;(E)-3-[1-(4-ethenylcyclohexa-1,3-dien-1-yl)ethylideneamino]-N,2-dimethylprop-2-en-1-amine;molecular hydrogen is C=CC1=CC=C(/C(C)=N/C=C(\C)CNC)CC1.CC.[H][H].
What is the InChIKey of ethane;(E)-3-[1-(4-ethenylcyclohexa-1,3-dien-1-yl)ethylideneamino]-N,2-dimethylprop-2-en-1-amine;molecular hydrogen?
The InChIKey is QHJFOTXITDZXRW-DWYKKOCSSA-N. The full InChI is InChI=1S/C15H22N2.C2H6.H2/c1-5-14-6-8-15(9-7-14)13(3)17-11-12(2)10-16-4;1-2;/h5-6,8,11,16H,1,7,9-10H2,2-4H3;1-2H3;1H/b12-11+,17-13+;;.
What are the key properties of ethane;(E)-3-[1-(4-ethenylcyclohexa-1,3-dien-1-yl)ethylideneamino]-N,2-dimethylprop-2-en-1-amine;molecular hydrogen?
ethane;(E)-3-[1-(4-ethenylcyclohexa-1,3-dien-1-yl)ethylideneamino]-N,2-dimethylprop-2-en-1-amine;molecular hydrogen has a molecular weight of 262.44 g/mol, XLogP of 4.68, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(E)-3-[1-(4-ethenylcyclohexa-1,3-dien-1-yl)ethylideneamino]-N,2-dimethylprop-2-en-1-amine;molecular hydrogen is sourced from PubChem (CID 142025148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).