(2Z,4E,6E,8E)-N-[(2E,4Z)-hexa-2,4-dien-3-yl]-3,7-dimethyl-9-(2,3,6,6-tetramethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-imine

C27H39N — CID 137391903

IUPAC(2Z,4E,6E,8E)-N-[(2E,4Z)-hexa-2,4-dien-3-yl]-3,7-dimethyl-9-(2,3,6,6-tetramethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-imine
SMILESC/C=C\C(=C/C)\N=C/C=C(C)\C=C\C=C(C)\C=C\C1=C(C)C(C)CCC1(C)C
InChIInChI=1S/C27H39N/c1-9-12-25(10-2)28-20-18-22(4)14-11-13-21(3)15-16-26-24(6)23(5)17-19-27(26,7)8/h9-16,18,20,23H,17,19H2,1-8H3/b12-9-,14-11+,16-15+,21-13+,22-18-,25-10+,28-20+
InChIKeyWTYHOEAWTDEMRX-GFILBICDSA-N
MW377.62 g/mol
LogP8.31
Rot. Bonds7

About (2Z,4E,6E,8E)-N-[(2E,4Z)-hexa-2,4-dien-3-yl]-3,7-dimethyl-9-(2,3,6,6-tetramethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-imine

(2Z,4E,6E,8E)-N-[(2E,4Z)-hexa-2,4-dien-3-yl]-3,7-dimethyl-9-(2,3,6,6-tetramethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-imine (PubChem CID 137391903) has the molecular formula C27H39N and a molecular weight of 377.62 g/mol. Its IUPAC name is (2Z,4E,6E,8E)-N-[(2E,4Z)-hexa-2,4-dien-3-yl]-3,7-dimethyl-9-(2,3,6,6-tetramethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-imine.

Molecular Properties

Compound Name(2Z,4E,6E,8E)-N-[(2E,4Z)-hexa-2,4-dien-3-yl]-3,7-dimethyl-9-(2,3,6,6-tetramethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-imine
PubChem CID137391903
Molecular FormulaC27H39N
Molecular Weight377.62 g/mol
Exact Mass377.31
IUPAC Name(2Z,4E,6E,8E)-N-[(2E,4Z)-hexa-2,4-dien-3-yl]-3,7-dimethyl-9-(2,3,6,6-tetramethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-imine
SMILESC/C=C\C(=C/C)\N=C/C=C(C)\C=C\C=C(C)\C=C\C1=C(C)C(C)CCC1(C)C
InChIInChI=1S/C27H39N/c1-9-12-25(10-2)28-20-18-22(4)14-11-13-21(3)15-16-26-24(6)23(5)17-19-27(26,7)8/h9-16,18,20,23H,17,19H2,1-8H3/b12-9-,14-11+,16-15+,21-13+,22-18-,25-10+,28-20+
InChIKeyWTYHOEAWTDEMRX-GFILBICDSA-N
XLogP8.31
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.62
LogP ≤ 58.31
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 (2Z,4E,6E,8E)-N-[(2E,4Z)-hexa-2,4-dien-3-yl]-3,7-dimethyl-9-(2,3,6,6-tetramethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-imine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2Z,4E,6E,8E)-N-[(2E,4Z)-hexa-2,4-dien-3-yl]-3,7-dimethyl-9-(2,3,6,6-tetramethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-imine?
The IUPAC name of (2Z,4E,6E,8E)-N-[(2E,4Z)-hexa-2,4-dien-3-yl]-3,7-dimethyl-9-(2,3,6,6-tetramethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-imine (CID 137391903) is (2Z,4E,6E,8E)-N-[(2E,4Z)-hexa-2,4-dien-3-yl]-3,7-dimethyl-9-(2,3,6,6-tetramethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-imine.
What is the SMILES notation for (2Z,4E,6E,8E)-N-[(2E,4Z)-hexa-2,4-dien-3-yl]-3,7-dimethyl-9-(2,3,6,6-tetramethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-imine?
The canonical SMILES for (2Z,4E,6E,8E)-N-[(2E,4Z)-hexa-2,4-dien-3-yl]-3,7-dimethyl-9-(2,3,6,6-tetramethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-imine is C/C=C\C(=C/C)\N=C/C=C(C)\C=C\C=C(C)\C=C\C1=C(C)C(C)CCC1(C)C.
What is the InChIKey of (2Z,4E,6E,8E)-N-[(2E,4Z)-hexa-2,4-dien-3-yl]-3,7-dimethyl-9-(2,3,6,6-tetramethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-imine?
The InChIKey is WTYHOEAWTDEMRX-GFILBICDSA-N. The full InChI is InChI=1S/C27H39N/c1-9-12-25(10-2)28-20-18-22(4)14-11-13-21(3)15-16-26-24(6)23(5)17-19-27(26,7)8/h9-16,18,20,23H,17,19H2,1-8H3/b12-9-,14-11+,16-15+,21-13+,22-18-,25-10+,28-20+.
What are the key properties of (2Z,4E,6E,8E)-N-[(2E,4Z)-hexa-2,4-dien-3-yl]-3,7-dimethyl-9-(2,3,6,6-tetramethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-imine?
(2Z,4E,6E,8E)-N-[(2E,4Z)-hexa-2,4-dien-3-yl]-3,7-dimethyl-9-(2,3,6,6-tetramethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-imine has a molecular weight of 377.62 g/mol, XLogP of 8.31, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4E,6E,8E)-N-[(2E,4Z)-hexa-2,4-dien-3-yl]-3,7-dimethyl-9-(2,3,6,6-tetramethylcyclohexen-1-yl)nona-2,4,6,8-tetraen-1-imine is sourced from PubChem (CID 137391903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).