6-[(4E)-7a-methyl-4-[(2Z)-2-(2-methylidenecyclohexylidene)ethylidene]-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-N-ethylhex-1-en-2-amine;2,5-dimethylhexa-1,5-diene;5,5-dimethyl-3-methylidenedecane;ethane

C50H89N — CID 156729665

IUPAC6-[(4E)-7a-methyl-4-[(2Z)-2-(2-methylidenecyclohexylidene)ethylidene]-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-N-ethylhex-1-en-2-amine;2,5-dimethylhexa-1,5-diene;5,5-dimethyl-3-methylidenedecane;ethane
SMILESC=C(C)CCC(=C)C.C=C(CC)CC(C)(C)CCCCC.C=C(CCCCC1CCC2/C(=C/C=C3/CCCCC3=C)CCCC12C)NCC.CC
InChIInChI=1S/C27H43N.C13H26.C8H14.C2H6/c1-5-28-22(3)12-7-9-15-25-18-19-26-24(14-10-20-27(25,26)4)17-16-23-13-8-6-11-21(23)2;1-6-8-9-10-13(4,5)11-12(3)7-2;1-7(2)5-6-8(3)4;1-2/h16-17,25-26,28H,2-3,5-15,18-20H2,1,4H3;3,6-11H2,1-2,4-5H3;1,3,5-6H2,2,4H3;1-2H3/b23-16-,24-17+;;;
InChIKeyYGCLZLGRVAFOEM-OVFUMVPKSA-N
MW704.27 g/mol
LogP16.76
Rot. Bonds18

About 6-[(4E)-7a-methyl-4-[(2Z)-2-(2-methylidenecyclohexylidene)ethylidene]-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-N-ethylhex-1-en-2-amine;2,5-dimethylhexa-1,5-diene;5,5-dimethyl-3-methylidenedecane;ethane

6-[(4E)-7a-methyl-4-[(2Z)-2-(2-methylidenecyclohexylidene)ethylidene]-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-N-ethylhex-1-en-2-amine;2,5-dimethylhexa-1,5-diene;5,5-dimethyl-3-methylidenedecane;ethane (PubChem CID 156729665) has the molecular formula C50H89N and a molecular weight of 704.27 g/mol. Its IUPAC name is 6-[(4E)-7a-methyl-4-[(2Z)-2-(2-methylidenecyclohexylidene)ethylidene]-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-N-ethylhex-1-en-2-amine;2,5-dimethylhexa-1,5-diene;5,5-dimethyl-3-methylidenedecane;ethane.

Molecular Properties

Compound Name6-[(4E)-7a-methyl-4-[(2Z)-2-(2-methylidenecyclohexylidene)ethylidene]-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-N-ethylhex-1-en-2-amine;2,5-dimethylhexa-1,5-diene;5,5-dimethyl-3-methylidenedecane;ethane
PubChem CID156729665
Molecular FormulaC50H89N
Molecular Weight704.27 g/mol
Exact Mass703.70
IUPAC Name6-[(4E)-7a-methyl-4-[(2Z)-2-(2-methylidenecyclohexylidene)ethylidene]-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-N-ethylhex-1-en-2-amine;2,5-dimethylhexa-1,5-diene;5,5-dimethyl-3-methylidenedecane;ethane
SMILESC=C(C)CCC(=C)C.C=C(CC)CC(C)(C)CCCCC.C=C(CCCCC1CCC2/C(=C/C=C3/CCCCC3=C)CCCC12C)NCC.CC
InChIInChI=1S/C27H43N.C13H26.C8H14.C2H6/c1-5-28-22(3)12-7-9-15-25-18-19-26-24(14-10-20-27(25,26)4)17-16-23-13-8-6-11-21(23)2;1-6-8-9-10-13(4,5)11-12(3)7-2;1-7(2)5-6-8(3)4;1-2/h16-17,25-26,28H,2-3,5-15,18-20H2,1,4H3;3,6-11H2,1-2,4-5H3;1,3,5-6H2,2,4H3;1-2H3/b23-16-,24-17+;;;
InChIKeyYGCLZLGRVAFOEM-OVFUMVPKSA-N
XLogP16.76
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds18
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500704.27
LogP ≤ 516.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 6-[(4E)-7a-methyl-4-[(2Z)-2-(2-methylidenecyclohexylidene)ethylidene]-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-N-ethylhex-1-en-2-amine;2,5-dimethylhexa-1,5-diene;5,5-dimethyl-3-methylidenedecane;ethane with MolForge

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Related Compounds

(4E)-7a-methyl-1-(5-methylhexyl)-4-[(2Z)-2-(2-methylidenecycloheptylidene)ethylidene]-2,3,3a,5,6,7-hexahydro-1H-indene
CID 144680786
(4E,7aR)-1-ethyl-7a-methyl-4-[(2Z)-2-(2-methylidenecyclohexylidene)ethylidene]-2,3,3a,5,6,7-hexahydro-1H-indene
CID 143647453
6-[(4E)-7a-methyl-4-[(2Z)-2-(2-methylidenecyclohexylidene)ethylidene]-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-2-methylhex-3-yn-2-ol
CID 143226984
(4E)-7a-methyl-1-[(E)-5-methylhex-2-enyl]-4-[(2Z)-2-(2-methylidenecyclohexylidene)ethylidene]-2,3,3a,5,6,7-hexahydro-1H-indene;ethane
CID 142019823
(4E,7aR)-7a-methyl-1-[(E)-5-methylhex-2-enyl]-4-[(2Z)-2-(2-methylidenecyclohexylidene)ethylidene]-2,3,3a,5,6,7-hexahydro-1H-indene
CID 143647718
(6R)-6-[(4E)-7a-methyl-4-[(2Z)-2-(2-methylidenecyclohexylidene)ethylidene]-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-2-methylheptan-2-ol;bromomethane;ethane;pentanoic acid
CID 143290313
(4E)-7a-methyl-1-(5-methylhexyl)-4-[(2E)-2-(2-methylidene-5-prop-1-en-2-ylcyclohexylidene)ethylidene]-2,3,3a,5,6,7-hexahydro-1H-indene;ethane;methanamine
CID 153370598
1-[[(3aS,4E)-7a-methyl-4-[(2Z)-2-(2-methylidenecyclohexylidene)ethylidene]-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]methyl]piperidine
CID 170045186
(1R,4E,7aR)-1-[(E,2R,5S)-5-ethyl-6-methylhept-3-en-2-yl]-7a-methyl-4-[(2E)-2-(2-methylidenecyclohexylidene)ethylidene]-2,3,3a,5,6,7-hexahydro-1H-indene
CID 176858105
(4E)-7a-methyl-1-(5-methylhexyl)-4-[(2E)-2-(4-methyl-2-methylidenecyclohexylidene)ethylidene]-2,3,3a,5,6,7-hexahydro-1H-indene
CID 153370565
cis-(1R,2S,5Z)-5-[(2E)-2-[(1S,3aS,7aR)-1-(5-hydroxy-5-methylhexyl)-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-2-(3-hydroxypropoxy)-4-methylidenecyclohexan-1-ol
CID 134477300
(5E)-5-[(2E)-2-[1-(5-hydroxy-5-methylhexyl)-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-4-ylidene]ethylidene]-2-(3-hydroxypropoxy)-4-methylidenecyclohexan-1-ol
CID 130344023

Frequently Asked Questions

What is the IUPAC name of 6-[(4E)-7a-methyl-4-[(2Z)-2-(2-methylidenecyclohexylidene)ethylidene]-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-N-ethylhex-1-en-2-amine;2,5-dimethylhexa-1,5-diene;5,5-dimethyl-3-methylidenedecane;ethane?
The IUPAC name of 6-[(4E)-7a-methyl-4-[(2Z)-2-(2-methylidenecyclohexylidene)ethylidene]-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-N-ethylhex-1-en-2-amine;2,5-dimethylhexa-1,5-diene;5,5-dimethyl-3-methylidenedecane;ethane (CID 156729665) is 6-[(4E)-7a-methyl-4-[(2Z)-2-(2-methylidenecyclohexylidene)ethylidene]-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-N-ethylhex-1-en-2-amine;2,5-dimethylhexa-1,5-diene;5,5-dimethyl-3-methylidenedecane;ethane.
What is the SMILES notation for 6-[(4E)-7a-methyl-4-[(2Z)-2-(2-methylidenecyclohexylidene)ethylidene]-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-N-ethylhex-1-en-2-amine;2,5-dimethylhexa-1,5-diene;5,5-dimethyl-3-methylidenedecane;ethane?
The canonical SMILES for 6-[(4E)-7a-methyl-4-[(2Z)-2-(2-methylidenecyclohexylidene)ethylidene]-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-N-ethylhex-1-en-2-amine;2,5-dimethylhexa-1,5-diene;5,5-dimethyl-3-methylidenedecane;ethane is C=C(C)CCC(=C)C.C=C(CC)CC(C)(C)CCCCC.C=C(CCCCC1CCC2/C(=C/C=C3/CCCCC3=C)CCCC12C)NCC.CC.
What is the InChIKey of 6-[(4E)-7a-methyl-4-[(2Z)-2-(2-methylidenecyclohexylidene)ethylidene]-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-N-ethylhex-1-en-2-amine;2,5-dimethylhexa-1,5-diene;5,5-dimethyl-3-methylidenedecane;ethane?
The InChIKey is YGCLZLGRVAFOEM-OVFUMVPKSA-N. The full InChI is InChI=1S/C27H43N.C13H26.C8H14.C2H6/c1-5-28-22(3)12-7-9-15-25-18-19-26-24(14-10-20-27(25,26)4)17-16-23-13-8-6-11-21(23)2;1-6-8-9-10-13(4,5)11-12(3)7-2;1-7(2)5-6-8(3)4;1-2/h16-17,25-26,28H,2-3,5-15,18-20H2,1,4H3;3,6-11H2,1-2,4-5H3;1,3,5-6H2,2,4H3;1-2H3/b23-16-,24-17+;;;.
What are the key properties of 6-[(4E)-7a-methyl-4-[(2Z)-2-(2-methylidenecyclohexylidene)ethylidene]-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-N-ethylhex-1-en-2-amine;2,5-dimethylhexa-1,5-diene;5,5-dimethyl-3-methylidenedecane;ethane?
6-[(4E)-7a-methyl-4-[(2Z)-2-(2-methylidenecyclohexylidene)ethylidene]-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-N-ethylhex-1-en-2-amine;2,5-dimethylhexa-1,5-diene;5,5-dimethyl-3-methylidenedecane;ethane has a molecular weight of 704.27 g/mol, XLogP of 16.76, 18 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4E)-7a-methyl-4-[(2Z)-2-(2-methylidenecyclohexylidene)ethylidene]-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-N-ethylhex-1-en-2-amine;2,5-dimethylhexa-1,5-diene;5,5-dimethyl-3-methylidenedecane;ethane is sourced from PubChem (CID 156729665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).