(6E)-6-[(Z)-but-2-enylidene]-5-methylidene-N-prop-1-en-2-ylcyclohexa-1,3-dien-1-amine;1-[(Z)-[(E)-3,8-dimethyldec-2-enylidene]amino]ethenamine;propane

C31H51N3 — CID 143604514

IUPAC(6E)-6-[(Z)-but-2-enylidene]-5-methylidene-N-prop-1-en-2-ylcyclohexa-1,3-dien-1-amine;1-[(Z)-[(E)-3,8-dimethyldec-2-enylidene]amino]ethenamine;propane
SMILESC=C(C)Nc1cccc(=C)/c1=C\C=C/C.C=C(N)/N=C\C=C(/C)CCCCC(C)CC.CCC
InChIInChI=1S/C14H26N2.C14H17N.C3H8/c1-5-12(2)8-6-7-9-13(3)10-11-16-14(4)15;1-5-6-9-13-12(4)8-7-10-14(13)15-11(2)3;1-3-2/h10-12H,4-9,15H2,1-3H3;5-10,15H,2,4H2,1,3H3;3H2,1-2H3/b13-10+,16-11-;6-5-,13-9+;
InChIKeyQWZUCPIRWMYBIN-HMJCPBKWSA-N
MW465.77 g/mol
LogP7.86
Rot. Bonds11

About (6E)-6-[(Z)-but-2-enylidene]-5-methylidene-N-prop-1-en-2-ylcyclohexa-1,3-dien-1-amine;1-[(Z)-[(E)-3,8-dimethyldec-2-enylidene]amino]ethenamine;propane

(6E)-6-[(Z)-but-2-enylidene]-5-methylidene-N-prop-1-en-2-ylcyclohexa-1,3-dien-1-amine;1-[(Z)-[(E)-3,8-dimethyldec-2-enylidene]amino]ethenamine;propane (PubChem CID 143604514) has the molecular formula C31H51N3 and a molecular weight of 465.77 g/mol. Its IUPAC name is (6E)-6-[(Z)-but-2-enylidene]-5-methylidene-N-prop-1-en-2-ylcyclohexa-1,3-dien-1-amine;1-[(Z)-[(E)-3,8-dimethyldec-2-enylidene]amino]ethenamine;propane.

Molecular Properties

Compound Name(6E)-6-[(Z)-but-2-enylidene]-5-methylidene-N-prop-1-en-2-ylcyclohexa-1,3-dien-1-amine;1-[(Z)-[(E)-3,8-dimethyldec-2-enylidene]amino]ethenamine;propane
PubChem CID143604514
Molecular FormulaC31H51N3
Molecular Weight465.77 g/mol
Exact Mass465.41
IUPAC Name(6E)-6-[(Z)-but-2-enylidene]-5-methylidene-N-prop-1-en-2-ylcyclohexa-1,3-dien-1-amine;1-[(Z)-[(E)-3,8-dimethyldec-2-enylidene]amino]ethenamine;propane
SMILESC=C(C)Nc1cccc(=C)/c1=C\C=C/C.C=C(N)/N=C\C=C(/C)CCCCC(C)CC.CCC
InChIInChI=1S/C14H26N2.C14H17N.C3H8/c1-5-12(2)8-6-7-9-13(3)10-11-16-14(4)15;1-5-6-9-13-12(4)8-7-10-14(13)15-11(2)3;1-3-2/h10-12H,4-9,15H2,1-3H3;5-10,15H,2,4H2,1,3H3;3H2,1-2H3/b13-10+,16-11-;6-5-,13-9+;
InChIKeyQWZUCPIRWMYBIN-HMJCPBKWSA-N
XLogP7.86
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.77
LogP ≤ 57.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (6E)-6-[(Z)-but-2-enylidene]-5-methylidene-N-prop-1-en-2-ylcyclohexa-1,3-dien-1-amine;1-[(Z)-[(E)-3,8-dimethyldec-2-enylidene]amino]ethenamine;propane with MolForge

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Related Compounds

(3E,5E,7Z,9Z)-6-fluoro-N-[(E)-5-[3-[(3E)-5-iminopenta-1,3-dien-3-yl]cyclopentyl]pent-2-en-3-yl]-7-methyldodeca-1,3,5,7,9,11-hexaen-4-amine
CID 175610993
(3Z,5E)-2-N-[(3Z)-3-butan-2-ylidene-4-methyliminocyclohexa-1,5-dien-1-yl]-6-N-(2,5-dimethylheptan-3-yl)-3-ethenyl-5-methylhepta-1,3,5-triene-2,6-diamine
CID 134187705
(E,9Z)-10-(cyclohepta-1,3,5-trien-1-ylmethylideneamino)-9-ethylidene-7-prop-1-enyltridec-10-en-1-amine;ethane
CID 142402425
ethane;(5E)-6-[(4Z)-3-heptan-3-yl-5-methylidene-4-[(Z)-2-methylpent-2-enylidene]-1H-pyrrol-2-yl]-N-methylhexa-2,5-dien-1-imine
CID 143111725
4-butyl-N-[(3Z)-hexa-3,5-dienyl]cyclohexan-1-amine;ethane;N-[(3Z)-2-methylpenta-1,3-dien-3-yl]ethanimine
CID 143683651
ethane;N-[(5Z,6Z,8Z)-3-methylidene-5-[4-methyl-3-(methyliminomethyl)pent-3-en-2-ylidene]deca-1,6,8-trien-2-yl]-1-prop-2-enylcyclohexan-1-amine
CID 143721949
N-[1-[5-[(3E)-5-iminopenta-1,3-dien-3-yl]-4-[(1Z,3Z)-penta-1,3-dienyl]-3H-pyrrol-2-yl]ethenyl]-1-prop-2-enylcyclohexan-1-amine
CID 143722122
3-[(Z)-1-ethenyliminobut-2-en-2-yl]-N-(3-heptan-4-ylcyclopenta-1,3-dien-1-yl)-5-methyl-4,5-dihydro-3aH-indol-7-amine
CID 143756685
2,3-diethyl-N-methylcyclopropan-1-amine;(2E)-2-[(2Z)-2-ethylidene-4-methylpent-4-enylidene]-3-methylidenepyridine;2-ethyl-3-methyl-5-methylidene-4-propan-2-ylidene-1H-pyrrole
CID 144154837
(2Z,4Z)-4-[N-methyl-C-[(5-methylcyclohepten-1-yl)methyl]carbonimidoyl]-N-prop-2-enylhexa-2,4-dien-3-amine
CID 156185656
(Z)-5-[3-[(E,2Z)-8-ethyl-2-ethylidenedodec-4-enyl]-4-methylidenecyclohexyl]-6-(2-methyl-1,2,3,4-tetrahydropyridin-6-yl)hept-5-en-1-imine
CID 156412372
[5-[[[(4Z,6E)-6-amino-3-methylideneocta-4,6-dienyl]-methylamino]methyl]-2-methylcyclohexa-2,4-dien-1-yl]methylidene-diethylazanium
CID 163249315

Frequently Asked Questions

What is the IUPAC name of (6E)-6-[(Z)-but-2-enylidene]-5-methylidene-N-prop-1-en-2-ylcyclohexa-1,3-dien-1-amine;1-[(Z)-[(E)-3,8-dimethyldec-2-enylidene]amino]ethenamine;propane?
The IUPAC name of (6E)-6-[(Z)-but-2-enylidene]-5-methylidene-N-prop-1-en-2-ylcyclohexa-1,3-dien-1-amine;1-[(Z)-[(E)-3,8-dimethyldec-2-enylidene]amino]ethenamine;propane (CID 143604514) is (6E)-6-[(Z)-but-2-enylidene]-5-methylidene-N-prop-1-en-2-ylcyclohexa-1,3-dien-1-amine;1-[(Z)-[(E)-3,8-dimethyldec-2-enylidene]amino]ethenamine;propane.
What is the SMILES notation for (6E)-6-[(Z)-but-2-enylidene]-5-methylidene-N-prop-1-en-2-ylcyclohexa-1,3-dien-1-amine;1-[(Z)-[(E)-3,8-dimethyldec-2-enylidene]amino]ethenamine;propane?
The canonical SMILES for (6E)-6-[(Z)-but-2-enylidene]-5-methylidene-N-prop-1-en-2-ylcyclohexa-1,3-dien-1-amine;1-[(Z)-[(E)-3,8-dimethyldec-2-enylidene]amino]ethenamine;propane is C=C(C)Nc1cccc(=C)/c1=C\C=C/C.C=C(N)/N=C\C=C(/C)CCCCC(C)CC.CCC.
What is the InChIKey of (6E)-6-[(Z)-but-2-enylidene]-5-methylidene-N-prop-1-en-2-ylcyclohexa-1,3-dien-1-amine;1-[(Z)-[(E)-3,8-dimethyldec-2-enylidene]amino]ethenamine;propane?
The InChIKey is QWZUCPIRWMYBIN-HMJCPBKWSA-N. The full InChI is InChI=1S/C14H26N2.C14H17N.C3H8/c1-5-12(2)8-6-7-9-13(3)10-11-16-14(4)15;1-5-6-9-13-12(4)8-7-10-14(13)15-11(2)3;1-3-2/h10-12H,4-9,15H2,1-3H3;5-10,15H,2,4H2,1,3H3;3H2,1-2H3/b13-10+,16-11-;6-5-,13-9+;.
What are the key properties of (6E)-6-[(Z)-but-2-enylidene]-5-methylidene-N-prop-1-en-2-ylcyclohexa-1,3-dien-1-amine;1-[(Z)-[(E)-3,8-dimethyldec-2-enylidene]amino]ethenamine;propane?
(6E)-6-[(Z)-but-2-enylidene]-5-methylidene-N-prop-1-en-2-ylcyclohexa-1,3-dien-1-amine;1-[(Z)-[(E)-3,8-dimethyldec-2-enylidene]amino]ethenamine;propane has a molecular weight of 465.77 g/mol, XLogP of 7.86, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6E)-6-[(Z)-but-2-enylidene]-5-methylidene-N-prop-1-en-2-ylcyclohexa-1,3-dien-1-amine;1-[(Z)-[(E)-3,8-dimethyldec-2-enylidene]amino]ethenamine;propane is sourced from PubChem (CID 143604514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).