(1Z,3E,5Z)-3-ethylidene-5,6-dimethyl-4-methylidene-7-methyliminoocta-1,5-dien-1-amine;1-ethyl-4-methylcyclohexane;2-methylhex-1-ene

C30H54N2 — CID 164855886

IUPAC(1Z,3E,5Z)-3-ethylidene-5,6-dimethyl-4-methylidene-7-methyliminoocta-1,5-dien-1-amine;1-ethyl-4-methylcyclohexane;2-methylhex-1-ene
SMILESC=C(/C(C)=C(C)\C(C)=N\C)C(/C=C\N)=C/C.C=C(C)CCCC.CCC1CCC(C)CC1
InChIInChI=1S/C14H22N2.C9H18.C7H14/c1-7-14(8-9-15)12(4)10(2)11(3)13(5)16-6;1-3-9-6-4-8(2)5-7-9;1-4-5-6-7(2)3/h7-9H,4,15H2,1-3,5-6H3;8-9H,3-7H2,1-2H3;2,4-6H2,1,3H3/b9-8-,11-10-,14-7+,16-13+;;
InChIKeyBBUFRTQTVUXPBY-PLDQTYTMSA-N
MW442.78 g/mol
LogP9.36
Rot. Bonds8

About (1Z,3E,5Z)-3-ethylidene-5,6-dimethyl-4-methylidene-7-methyliminoocta-1,5-dien-1-amine;1-ethyl-4-methylcyclohexane;2-methylhex-1-ene

(1Z,3E,5Z)-3-ethylidene-5,6-dimethyl-4-methylidene-7-methyliminoocta-1,5-dien-1-amine;1-ethyl-4-methylcyclohexane;2-methylhex-1-ene (PubChem CID 164855886) has the molecular formula C30H54N2 and a molecular weight of 442.78 g/mol. Its IUPAC name is (1Z,3E,5Z)-3-ethylidene-5,6-dimethyl-4-methylidene-7-methyliminoocta-1,5-dien-1-amine;1-ethyl-4-methylcyclohexane;2-methylhex-1-ene.

Molecular Properties

Compound Name(1Z,3E,5Z)-3-ethylidene-5,6-dimethyl-4-methylidene-7-methyliminoocta-1,5-dien-1-amine;1-ethyl-4-methylcyclohexane;2-methylhex-1-ene
PubChem CID164855886
Molecular FormulaC30H54N2
Molecular Weight442.78 g/mol
Exact Mass442.43
IUPAC Name(1Z,3E,5Z)-3-ethylidene-5,6-dimethyl-4-methylidene-7-methyliminoocta-1,5-dien-1-amine;1-ethyl-4-methylcyclohexane;2-methylhex-1-ene
SMILESC=C(/C(C)=C(C)\C(C)=N\C)C(/C=C\N)=C/C.C=C(C)CCCC.CCC1CCC(C)CC1
InChIInChI=1S/C14H22N2.C9H18.C7H14/c1-7-14(8-9-15)12(4)10(2)11(3)13(5)16-6;1-3-9-6-4-8(2)5-7-9;1-4-5-6-7(2)3/h7-9H,4,15H2,1-3,5-6H3;8-9H,3-7H2,1-2H3;2,4-6H2,1,3H3/b9-8-,11-10-,14-7+,16-13+;;
InChIKeyBBUFRTQTVUXPBY-PLDQTYTMSA-N
XLogP9.36
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.78
LogP ≤ 59.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(5Z,8Z,9Z)-5-[(Z)-but-2-enylidene]-3-(2,2-difluoro-3-methylbutyl)imino-8-ethylidene-4,11-dimethyl-9-prop-1-en-2-yldodeca-1,9-dien-1-amine
CID 173986070
2-cyclohexyl-4H-azocin-3-imine
CID 57003188
(3E,4Z)-3,4-di(ethylidene)-2-(6-pent-2-enylcyclohexa-1,3-dien-1-yl)pyridine
CID 132096050
(2E)-2-(1-cyclohexyl-3-methylbut-2-enylidene)-4-hexyl-1-methylpyrimidine
CID 134386277
(6E)-N-ethenyl-6-(4-hexyldec-1-en-3-ylidene)cyclohexa-2,4-dien-1-imine
CID 138746156
(3Z)-6-butyl-N-ethenyldodeca-1,3-dien-5-imine
CID 139332369
ethane;(Z)-[5-ethenyl-3-methyl-2-methylimino-3-propan-2-yl-4-[(Z)-prop-1-enyl]cyclohept-4-en-1-ylidene]methanamine
CID 141851245
6-(2-cyclohexylethyl)-2-methylcyclohexa-1,3-diene;methane;3-methylidene-5-N-propan-2-ylidene-2-N-[(Z)-prop-1-enyl]pentane-2,5-diimine
CID 142189215
ethane;(2Z)-N-ethenyl-4-methyl-2-prop-2-enylidenecyclohexan-1-imine
CID 143030207
[2-[N-ethyl-C-[(4Z,6Z)-3-methylocta-4,6-dienyl]carbonimidoyl]cyclohexen-1-yl]methanamine
CID 143606113
(Z)-N-[(6Z,8Z)-deca-6,8-dienyl]-1-(3-methylcyclohexa-1,5-dien-1-yl)pent-2-en-1-imine;(1Z,3Z)-4-ethylhexa-1,3,5-trien-1-amine;molecular hydrogen
CID 143621274
7-(cyclohexylmethyl)-3-[(3E)-penta-1,3-dien-3-yl]-3aH-pyrrolo[2,3-c]pyridine;propane
CID 143755931

Frequently Asked Questions

What is the IUPAC name of (1Z,3E,5Z)-3-ethylidene-5,6-dimethyl-4-methylidene-7-methyliminoocta-1,5-dien-1-amine;1-ethyl-4-methylcyclohexane;2-methylhex-1-ene?
The IUPAC name of (1Z,3E,5Z)-3-ethylidene-5,6-dimethyl-4-methylidene-7-methyliminoocta-1,5-dien-1-amine;1-ethyl-4-methylcyclohexane;2-methylhex-1-ene (CID 164855886) is (1Z,3E,5Z)-3-ethylidene-5,6-dimethyl-4-methylidene-7-methyliminoocta-1,5-dien-1-amine;1-ethyl-4-methylcyclohexane;2-methylhex-1-ene.
What is the SMILES notation for (1Z,3E,5Z)-3-ethylidene-5,6-dimethyl-4-methylidene-7-methyliminoocta-1,5-dien-1-amine;1-ethyl-4-methylcyclohexane;2-methylhex-1-ene?
The canonical SMILES for (1Z,3E,5Z)-3-ethylidene-5,6-dimethyl-4-methylidene-7-methyliminoocta-1,5-dien-1-amine;1-ethyl-4-methylcyclohexane;2-methylhex-1-ene is C=C(/C(C)=C(C)\C(C)=N\C)C(/C=C\N)=C/C.C=C(C)CCCC.CCC1CCC(C)CC1.
What is the InChIKey of (1Z,3E,5Z)-3-ethylidene-5,6-dimethyl-4-methylidene-7-methyliminoocta-1,5-dien-1-amine;1-ethyl-4-methylcyclohexane;2-methylhex-1-ene?
The InChIKey is BBUFRTQTVUXPBY-PLDQTYTMSA-N. The full InChI is InChI=1S/C14H22N2.C9H18.C7H14/c1-7-14(8-9-15)12(4)10(2)11(3)13(5)16-6;1-3-9-6-4-8(2)5-7-9;1-4-5-6-7(2)3/h7-9H,4,15H2,1-3,5-6H3;8-9H,3-7H2,1-2H3;2,4-6H2,1,3H3/b9-8-,11-10-,14-7+,16-13+;;.
What are the key properties of (1Z,3E,5Z)-3-ethylidene-5,6-dimethyl-4-methylidene-7-methyliminoocta-1,5-dien-1-amine;1-ethyl-4-methylcyclohexane;2-methylhex-1-ene?
(1Z,3E,5Z)-3-ethylidene-5,6-dimethyl-4-methylidene-7-methyliminoocta-1,5-dien-1-amine;1-ethyl-4-methylcyclohexane;2-methylhex-1-ene has a molecular weight of 442.78 g/mol, XLogP of 9.36, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z,3E,5Z)-3-ethylidene-5,6-dimethyl-4-methylidene-7-methyliminoocta-1,5-dien-1-amine;1-ethyl-4-methylcyclohexane;2-methylhex-1-ene is sourced from PubChem (CID 164855886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).