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

C27H43N — CID 59146391

IUPAC(2E,4E,6E,8E)-N,2,3,4,5,6,7,8-octamethyl-9-(2,6,6-trimethylcyclohexen-1-yl)deca-2,4,6,8-tetraen-1-imine
SMILESC/N=C/C(C)=C(C)/C(C)=C(C)/C(C)=C(C)/C(C)=C(\C)C1=C(C)CCCC1(C)C
InChIInChI=1S/C27H43N/c1-17-14-13-15-27(10,11)26(17)25(9)24(8)23(7)22(6)21(5)20(4)19(3)18(2)16-28-12/h16H,13-15H2,1-12H3/b19-18+,21-20+,23-22+,25-24+,28-16+
InChIKeyYNIKFOSWDFEGLY-ZFWBSWBMSA-N
MW381.65 g/mol
LogP8.56
Rot. Bonds5

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

(2E,4E,6E,8E)-N,2,3,4,5,6,7,8-octamethyl-9-(2,6,6-trimethylcyclohexen-1-yl)deca-2,4,6,8-tetraen-1-imine (PubChem CID 59146391) has the molecular formula C27H43N and a molecular weight of 381.65 g/mol. Its IUPAC name is (2E,4E,6E,8E)-N,2,3,4,5,6,7,8-octamethyl-9-(2,6,6-trimethylcyclohexen-1-yl)deca-2,4,6,8-tetraen-1-imine.

Molecular Properties

Compound Name(2E,4E,6E,8E)-N,2,3,4,5,6,7,8-octamethyl-9-(2,6,6-trimethylcyclohexen-1-yl)deca-2,4,6,8-tetraen-1-imine
PubChem CID59146391
Molecular FormulaC27H43N
Molecular Weight381.65 g/mol
Exact Mass381.34
IUPAC Name(2E,4E,6E,8E)-N,2,3,4,5,6,7,8-octamethyl-9-(2,6,6-trimethylcyclohexen-1-yl)deca-2,4,6,8-tetraen-1-imine
SMILESC/N=C/C(C)=C(C)/C(C)=C(C)/C(C)=C(C)/C(C)=C(\C)C1=C(C)CCCC1(C)C
InChIInChI=1S/C27H43N/c1-17-14-13-15-27(10,11)26(17)25(9)24(8)23(7)22(6)21(5)20(4)19(3)18(2)16-28-12/h16H,13-15H2,1-12H3/b19-18+,21-20+,23-22+,25-24+,28-16+
InChIKeyYNIKFOSWDFEGLY-ZFWBSWBMSA-N
XLogP8.56
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.65
LogP ≤ 58.56
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)-N,2,3,4,5,6,7,8-octamethyl-9-(2,6,6-trimethylcyclohexen-1-yl)deca-2,4,6,8-tetraen-1-imine?
The IUPAC name of (2E,4E,6E,8E)-N,2,3,4,5,6,7,8-octamethyl-9-(2,6,6-trimethylcyclohexen-1-yl)deca-2,4,6,8-tetraen-1-imine (CID 59146391) is (2E,4E,6E,8E)-N,2,3,4,5,6,7,8-octamethyl-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)-N,2,3,4,5,6,7,8-octamethyl-9-(2,6,6-trimethylcyclohexen-1-yl)deca-2,4,6,8-tetraen-1-imine?
The canonical SMILES for (2E,4E,6E,8E)-N,2,3,4,5,6,7,8-octamethyl-9-(2,6,6-trimethylcyclohexen-1-yl)deca-2,4,6,8-tetraen-1-imine is C/N=C/C(C)=C(C)/C(C)=C(C)/C(C)=C(C)/C(C)=C(\C)C1=C(C)CCCC1(C)C.
What is the InChIKey of (2E,4E,6E,8E)-N,2,3,4,5,6,7,8-octamethyl-9-(2,6,6-trimethylcyclohexen-1-yl)deca-2,4,6,8-tetraen-1-imine?
The InChIKey is YNIKFOSWDFEGLY-ZFWBSWBMSA-N. The full InChI is InChI=1S/C27H43N/c1-17-14-13-15-27(10,11)26(17)25(9)24(8)23(7)22(6)21(5)20(4)19(3)18(2)16-28-12/h16H,13-15H2,1-12H3/b19-18+,21-20+,23-22+,25-24+,28-16+.
What are the key properties of (2E,4E,6E,8E)-N,2,3,4,5,6,7,8-octamethyl-9-(2,6,6-trimethylcyclohexen-1-yl)deca-2,4,6,8-tetraen-1-imine?
(2E,4E,6E,8E)-N,2,3,4,5,6,7,8-octamethyl-9-(2,6,6-trimethylcyclohexen-1-yl)deca-2,4,6,8-tetraen-1-imine has a molecular weight of 381.65 g/mol, XLogP of 8.56, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E,6E,8E)-N,2,3,4,5,6,7,8-octamethyl-9-(2,6,6-trimethylcyclohexen-1-yl)deca-2,4,6,8-tetraen-1-imine is sourced from PubChem (CID 59146391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).