ethane;(2Z,4E,6Z)-2-ethyl-N,8-dimethyl-4-[(E)-2-methylbut-2-enylidene]-5-propan-2-ylidenenona-2,6,8-trien-1-imine

C23H37N — CID 155724050

IUPACethane;(2Z,4E,6Z)-2-ethyl-N,8-dimethyl-4-[(E)-2-methylbut-2-enylidene]-5-propan-2-ylidenenona-2,6,8-trien-1-imine
SMILESC=C(C)/C=C/C(=C(C)C)C(/C=C(/C=N\C)CC)=C/C(C)=C/C.CC
InChIInChI=1S/C21H31N.C2H6/c1-9-18(7)13-20(14-19(10-2)15-22-8)21(17(5)6)12-11-16(3)4;1-2/h9,11-15H,3,10H2,1-2,4-8H3;1-2H3/b12-11-,18-9+,19-14-,20-13+,22-15-;
InChIKeyVIYGHLVHCYNLNF-QDFOUZKZSA-N
MW327.56 g/mol
LogP7.41
Rot. Bonds7

About ethane;(2Z,4E,6Z)-2-ethyl-N,8-dimethyl-4-[(E)-2-methylbut-2-enylidene]-5-propan-2-ylidenenona-2,6,8-trien-1-imine

ethane;(2Z,4E,6Z)-2-ethyl-N,8-dimethyl-4-[(E)-2-methylbut-2-enylidene]-5-propan-2-ylidenenona-2,6,8-trien-1-imine (PubChem CID 155724050) has the molecular formula C23H37N and a molecular weight of 327.56 g/mol. Its IUPAC name is ethane;(2Z,4E,6Z)-2-ethyl-N,8-dimethyl-4-[(E)-2-methylbut-2-enylidene]-5-propan-2-ylidenenona-2,6,8-trien-1-imine.

Molecular Properties

Compound Nameethane;(2Z,4E,6Z)-2-ethyl-N,8-dimethyl-4-[(E)-2-methylbut-2-enylidene]-5-propan-2-ylidenenona-2,6,8-trien-1-imine
PubChem CID155724050
Molecular FormulaC23H37N
Molecular Weight327.56 g/mol
Exact Mass327.29
IUPAC Nameethane;(2Z,4E,6Z)-2-ethyl-N,8-dimethyl-4-[(E)-2-methylbut-2-enylidene]-5-propan-2-ylidenenona-2,6,8-trien-1-imine
SMILESC=C(C)/C=C/C(=C(C)C)C(/C=C(/C=N\C)CC)=C/C(C)=C/C.CC
InChIInChI=1S/C21H31N.C2H6/c1-9-18(7)13-20(14-19(10-2)15-22-8)21(17(5)6)12-11-16(3)4;1-2/h9,11-15H,3,10H2,1-2,4-8H3;1-2H3/b12-11-,18-9+,19-14-,20-13+,22-15-;
InChIKeyVIYGHLVHCYNLNF-QDFOUZKZSA-N
XLogP7.41
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.56
LogP ≤ 57.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze ethane;(2Z,4E,6Z)-2-ethyl-N,8-dimethyl-4-[(E)-2-methylbut-2-enylidene]-5-propan-2-ylidenenona-2,6,8-trien-1-imine with MolForge

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Frequently Asked Questions

What is the IUPAC name of ethane;(2Z,4E,6Z)-2-ethyl-N,8-dimethyl-4-[(E)-2-methylbut-2-enylidene]-5-propan-2-ylidenenona-2,6,8-trien-1-imine?
The IUPAC name of ethane;(2Z,4E,6Z)-2-ethyl-N,8-dimethyl-4-[(E)-2-methylbut-2-enylidene]-5-propan-2-ylidenenona-2,6,8-trien-1-imine (CID 155724050) is ethane;(2Z,4E,6Z)-2-ethyl-N,8-dimethyl-4-[(E)-2-methylbut-2-enylidene]-5-propan-2-ylidenenona-2,6,8-trien-1-imine.
What is the SMILES notation for ethane;(2Z,4E,6Z)-2-ethyl-N,8-dimethyl-4-[(E)-2-methylbut-2-enylidene]-5-propan-2-ylidenenona-2,6,8-trien-1-imine?
The canonical SMILES for ethane;(2Z,4E,6Z)-2-ethyl-N,8-dimethyl-4-[(E)-2-methylbut-2-enylidene]-5-propan-2-ylidenenona-2,6,8-trien-1-imine is C=C(C)/C=C/C(=C(C)C)C(/C=C(/C=N\C)CC)=C/C(C)=C/C.CC.
What is the InChIKey of ethane;(2Z,4E,6Z)-2-ethyl-N,8-dimethyl-4-[(E)-2-methylbut-2-enylidene]-5-propan-2-ylidenenona-2,6,8-trien-1-imine?
The InChIKey is VIYGHLVHCYNLNF-QDFOUZKZSA-N. The full InChI is InChI=1S/C21H31N.C2H6/c1-9-18(7)13-20(14-19(10-2)15-22-8)21(17(5)6)12-11-16(3)4;1-2/h9,11-15H,3,10H2,1-2,4-8H3;1-2H3/b12-11-,18-9+,19-14-,20-13+,22-15-;.
What are the key properties of ethane;(2Z,4E,6Z)-2-ethyl-N,8-dimethyl-4-[(E)-2-methylbut-2-enylidene]-5-propan-2-ylidenenona-2,6,8-trien-1-imine?
ethane;(2Z,4E,6Z)-2-ethyl-N,8-dimethyl-4-[(E)-2-methylbut-2-enylidene]-5-propan-2-ylidenenona-2,6,8-trien-1-imine has a molecular weight of 327.56 g/mol, XLogP of 7.41, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(2Z,4E,6Z)-2-ethyl-N,8-dimethyl-4-[(E)-2-methylbut-2-enylidene]-5-propan-2-ylidenenona-2,6,8-trien-1-imine is sourced from PubChem (CID 155724050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).