ethane;2,3,3,5,5-pentamethylocta-1,7-dien-4-imine;(5E,6Z)-2,3,3-trimethyl-5-prop-2-enylidenenona-1,6-dien-4-imine

C30H52N2 — CID 142560272

IUPACethane;2,3,3,5,5-pentamethylocta-1,7-dien-4-imine;(5E,6Z)-2,3,3-trimethyl-5-prop-2-enylidenenona-1,6-dien-4-imine
SMILESCC.[H]/N=C(C(\C=C/CC)=C\C=C)/C(C)(C)C(=C)C.[H]/N=C(\C(C)(C)CC=C)C(C)(C)C(=C)C
InChIInChI=1S/C15H23N.C13H23N.C2H6/c1-7-9-11-13(10-8-2)14(16)15(5,6)12(3)4;1-8-9-12(4,5)11(14)13(6,7)10(2)3;1-2/h8-11,16H,2-3,7H2,1,4-6H3;8,14H,1-2,9H2,3-7H3;1-2H3/b11-9-,13-10+,16-14+;14-11+;
InChIKeyUDOKNVYIZZWQCR-MXICMXOISA-N
MW440.76 g/mol
LogP9.92
Rot. Bonds11

About ethane;2,3,3,5,5-pentamethylocta-1,7-dien-4-imine;(5E,6Z)-2,3,3-trimethyl-5-prop-2-enylidenenona-1,6-dien-4-imine

ethane;2,3,3,5,5-pentamethylocta-1,7-dien-4-imine;(5E,6Z)-2,3,3-trimethyl-5-prop-2-enylidenenona-1,6-dien-4-imine (PubChem CID 142560272) has the molecular formula C30H52N2 and a molecular weight of 440.76 g/mol. Its IUPAC name is ethane;2,3,3,5,5-pentamethylocta-1,7-dien-4-imine;(5E,6Z)-2,3,3-trimethyl-5-prop-2-enylidenenona-1,6-dien-4-imine.

Molecular Properties

Compound Nameethane;2,3,3,5,5-pentamethylocta-1,7-dien-4-imine;(5E,6Z)-2,3,3-trimethyl-5-prop-2-enylidenenona-1,6-dien-4-imine
PubChem CID142560272
Molecular FormulaC30H52N2
Molecular Weight440.76 g/mol
Exact Mass440.41
IUPAC Nameethane;2,3,3,5,5-pentamethylocta-1,7-dien-4-imine;(5E,6Z)-2,3,3-trimethyl-5-prop-2-enylidenenona-1,6-dien-4-imine
SMILESCC.[H]/N=C(C(\C=C/CC)=C\C=C)/C(C)(C)C(=C)C.[H]/N=C(\C(C)(C)CC=C)C(C)(C)C(=C)C
InChIInChI=1S/C15H23N.C13H23N.C2H6/c1-7-9-11-13(10-8-2)14(16)15(5,6)12(3)4;1-8-9-12(4,5)11(14)13(6,7)10(2)3;1-2/h8-11,16H,2-3,7H2,1,4-6H3;8,14H,1-2,9H2,3-7H3;1-2H3/b11-9-,13-10+,16-14+;14-11+;
InChIKeyUDOKNVYIZZWQCR-MXICMXOISA-N
XLogP9.92
TPSA47.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.76
LogP ≤ 59.92
H-Bond Donors ≤ 52
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'}

Analyze ethane;2,3,3,5,5-pentamethylocta-1,7-dien-4-imine;(5E,6Z)-2,3,3-trimethyl-5-prop-2-enylidenenona-1,6-dien-4-imine with MolForge

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Related Compounds

2-(2-Methylpentan-2-yl)cyclohexa-2,5-diene-1,4-diimine
CID 56977683
Azane;3,5,5-trimethylcyclohex-2-en-1-imine
CID 69864880
(E)-7-ethenyl-4-methyl-8-propyldodec-6-en-3-imine
CID 89196812
2-Cyclohexa-1,5-dien-1-yl-6,6-dimethylcyclohept-2-ene-1,4-diimine
CID 90793702
(3Z)-4,6,8,8-tetramethylnona-1,3-dien-5-imine
CID 90880737
3,7-Dimethyl-1-(2,6,6-trimethylcyclohexen-1-yl)nona-1,3,7-trien-5-imine
CID 91041769
6-Methyl-6-(4-methylpenta-1,2-dien-3-yl)-3-propan-2-ylcyclohepta-2,4-dien-1-imine
CID 91130436
2-(2-Ethenylidene-3-propylhexyl)-5-(3-methylpenta-1,3-dien-2-yl)cyclohepta-2,6-dien-1-imine
CID 91318570
2-Ethyl-6,6-dimethylcyclohepta-2,4-dien-1-imine
CID 91529593
4-[1-(Cyclopropen-1-yl)ethyl-methylboranyl]-6-ethyl-6-methylcyclohepta-2,4-dien-1-imine
CID 91551904
4-(2,2-Dimethylpropyl)cyclohexa-3,5-diene-1,2-diimine
CID 117841966
(4Z)-8-methyl-10,11,17,20-tetramethylidenetricosa-2,4,7,18,21-pentaen-9-imine
CID 123176685

Frequently Asked Questions

What is the IUPAC name of ethane;2,3,3,5,5-pentamethylocta-1,7-dien-4-imine;(5E,6Z)-2,3,3-trimethyl-5-prop-2-enylidenenona-1,6-dien-4-imine?
The IUPAC name of ethane;2,3,3,5,5-pentamethylocta-1,7-dien-4-imine;(5E,6Z)-2,3,3-trimethyl-5-prop-2-enylidenenona-1,6-dien-4-imine (CID 142560272) is ethane;2,3,3,5,5-pentamethylocta-1,7-dien-4-imine;(5E,6Z)-2,3,3-trimethyl-5-prop-2-enylidenenona-1,6-dien-4-imine.
What is the SMILES notation for ethane;2,3,3,5,5-pentamethylocta-1,7-dien-4-imine;(5E,6Z)-2,3,3-trimethyl-5-prop-2-enylidenenona-1,6-dien-4-imine?
The canonical SMILES for ethane;2,3,3,5,5-pentamethylocta-1,7-dien-4-imine;(5E,6Z)-2,3,3-trimethyl-5-prop-2-enylidenenona-1,6-dien-4-imine is CC.[H]/N=C(C(\C=C/CC)=C\C=C)/C(C)(C)C(=C)C.[H]/N=C(\C(C)(C)CC=C)C(C)(C)C(=C)C.
What is the InChIKey of ethane;2,3,3,5,5-pentamethylocta-1,7-dien-4-imine;(5E,6Z)-2,3,3-trimethyl-5-prop-2-enylidenenona-1,6-dien-4-imine?
The InChIKey is UDOKNVYIZZWQCR-MXICMXOISA-N. The full InChI is InChI=1S/C15H23N.C13H23N.C2H6/c1-7-9-11-13(10-8-2)14(16)15(5,6)12(3)4;1-8-9-12(4,5)11(14)13(6,7)10(2)3;1-2/h8-11,16H,2-3,7H2,1,4-6H3;8,14H,1-2,9H2,3-7H3;1-2H3/b11-9-,13-10+,16-14+;14-11+;.
What are the key properties of ethane;2,3,3,5,5-pentamethylocta-1,7-dien-4-imine;(5E,6Z)-2,3,3-trimethyl-5-prop-2-enylidenenona-1,6-dien-4-imine?
ethane;2,3,3,5,5-pentamethylocta-1,7-dien-4-imine;(5E,6Z)-2,3,3-trimethyl-5-prop-2-enylidenenona-1,6-dien-4-imine has a molecular weight of 440.76 g/mol, XLogP of 9.92, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2,3,3,5,5-pentamethylocta-1,7-dien-4-imine;(5E,6Z)-2,3,3-trimethyl-5-prop-2-enylidenenona-1,6-dien-4-imine is sourced from PubChem (CID 142560272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).