(2E,4E,6E,8E)-2,3,4,5,6,7,8-heptamethyl-N-(2-methylpropyl)-9-(2,6,6-trimethylcyclohexen-1-yl)deca-2,4,6,8-tetraen-1-imine

C30H49N — CID 59146384

IUPAC(2E,4E,6E,8E)-2,3,4,5,6,7,8-heptamethyl-N-(2-methylpropyl)-9-(2,6,6-trimethylcyclohexen-1-yl)deca-2,4,6,8-tetraen-1-imine
SMILESCC1=C(/C(C)=C(C)/C(C)=C(C)/C(C)=C(C)/C(C)=C(C)/C=N/CC(C)C)C(C)(C)CCC1
InChIInChI=1S/C30H49N/c1-19(2)17-31-18-21(4)22(5)23(6)24(7)25(8)26(9)27(10)28(11)29-20(3)15-14-16-30(29,12)13/h18-19H,14-17H2,1-13H3/b22-21+,24-23+,26-25+,28-27+,31-18+
InChIKeyWYCSMKZRIRLPEV-OYJRUTKHSA-N
MW423.73 g/mol
LogP9.59
Rot. Bonds7

About (2E,4E,6E,8E)-2,3,4,5,6,7,8-heptamethyl-N-(2-methylpropyl)-9-(2,6,6-trimethylcyclohexen-1-yl)deca-2,4,6,8-tetraen-1-imine

(2E,4E,6E,8E)-2,3,4,5,6,7,8-heptamethyl-N-(2-methylpropyl)-9-(2,6,6-trimethylcyclohexen-1-yl)deca-2,4,6,8-tetraen-1-imine (PubChem CID 59146384) has the molecular formula C30H49N and a molecular weight of 423.73 g/mol. Its IUPAC name is (2E,4E,6E,8E)-2,3,4,5,6,7,8-heptamethyl-N-(2-methylpropyl)-9-(2,6,6-trimethylcyclohexen-1-yl)deca-2,4,6,8-tetraen-1-imine.

Molecular Properties

Compound Name(2E,4E,6E,8E)-2,3,4,5,6,7,8-heptamethyl-N-(2-methylpropyl)-9-(2,6,6-trimethylcyclohexen-1-yl)deca-2,4,6,8-tetraen-1-imine
PubChem CID59146384
Molecular FormulaC30H49N
Molecular Weight423.73 g/mol
Exact Mass423.39
IUPAC Name(2E,4E,6E,8E)-2,3,4,5,6,7,8-heptamethyl-N-(2-methylpropyl)-9-(2,6,6-trimethylcyclohexen-1-yl)deca-2,4,6,8-tetraen-1-imine
SMILESCC1=C(/C(C)=C(C)/C(C)=C(C)/C(C)=C(C)/C(C)=C(C)/C=N/CC(C)C)C(C)(C)CCC1
InChIInChI=1S/C30H49N/c1-19(2)17-31-18-21(4)22(5)23(6)24(7)25(8)26(9)27(10)28(11)29-20(3)15-14-16-30(29,12)13/h18-19H,14-17H2,1-13H3/b22-21+,24-23+,26-25+,28-27+,31-18+
InChIKeyWYCSMKZRIRLPEV-OYJRUTKHSA-N
XLogP9.59
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.73
LogP ≤ 59.59
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'}

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Frequently Asked Questions

What is the IUPAC name of (2E,4E,6E,8E)-2,3,4,5,6,7,8-heptamethyl-N-(2-methylpropyl)-9-(2,6,6-trimethylcyclohexen-1-yl)deca-2,4,6,8-tetraen-1-imine?
The IUPAC name of (2E,4E,6E,8E)-2,3,4,5,6,7,8-heptamethyl-N-(2-methylpropyl)-9-(2,6,6-trimethylcyclohexen-1-yl)deca-2,4,6,8-tetraen-1-imine (CID 59146384) is (2E,4E,6E,8E)-2,3,4,5,6,7,8-heptamethyl-N-(2-methylpropyl)-9-(2,6,6-trimethylcyclohexen-1-yl)deca-2,4,6,8-tetraen-1-imine.
What is the SMILES notation for (2E,4E,6E,8E)-2,3,4,5,6,7,8-heptamethyl-N-(2-methylpropyl)-9-(2,6,6-trimethylcyclohexen-1-yl)deca-2,4,6,8-tetraen-1-imine?
The canonical SMILES for (2E,4E,6E,8E)-2,3,4,5,6,7,8-heptamethyl-N-(2-methylpropyl)-9-(2,6,6-trimethylcyclohexen-1-yl)deca-2,4,6,8-tetraen-1-imine is CC1=C(/C(C)=C(C)/C(C)=C(C)/C(C)=C(C)/C(C)=C(C)/C=N/CC(C)C)C(C)(C)CCC1.
What is the InChIKey of (2E,4E,6E,8E)-2,3,4,5,6,7,8-heptamethyl-N-(2-methylpropyl)-9-(2,6,6-trimethylcyclohexen-1-yl)deca-2,4,6,8-tetraen-1-imine?
The InChIKey is WYCSMKZRIRLPEV-OYJRUTKHSA-N. The full InChI is InChI=1S/C30H49N/c1-19(2)17-31-18-21(4)22(5)23(6)24(7)25(8)26(9)27(10)28(11)29-20(3)15-14-16-30(29,12)13/h18-19H,14-17H2,1-13H3/b22-21+,24-23+,26-25+,28-27+,31-18+.
What are the key properties of (2E,4E,6E,8E)-2,3,4,5,6,7,8-heptamethyl-N-(2-methylpropyl)-9-(2,6,6-trimethylcyclohexen-1-yl)deca-2,4,6,8-tetraen-1-imine?
(2E,4E,6E,8E)-2,3,4,5,6,7,8-heptamethyl-N-(2-methylpropyl)-9-(2,6,6-trimethylcyclohexen-1-yl)deca-2,4,6,8-tetraen-1-imine has a molecular weight of 423.73 g/mol, XLogP of 9.59, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E,6E,8E)-2,3,4,5,6,7,8-heptamethyl-N-(2-methylpropyl)-9-(2,6,6-trimethylcyclohexen-1-yl)deca-2,4,6,8-tetraen-1-imine is sourced from PubChem (CID 59146384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).