N-(1-cyclohexa-2,3-dien-1-ylprop-2-enyl)-1-[6-methyl-3-(5-propan-2-ylcyclohexa-1,3-dien-1-yl)cyclohexa-1,5-dien-1-yl]methanimine

C26H33N — CID 135128085

IUPACN-(1-cyclohexa-2,3-dien-1-ylprop-2-enyl)-1-[6-methyl-3-(5-propan-2-ylcyclohexa-1,3-dien-1-yl)cyclohexa-1,5-dien-1-yl]methanimine
SMILESC=CC(/N=C/C1=CC(C2=CC=CC(C(C)C)C2)CC=C1C)C1C=C=CCC1
InChIInChI=1S/C26H33N/c1-5-26(21-10-7-6-8-11-21)27-18-25-17-24(15-14-20(25)4)23-13-9-12-22(16-23)19(2)3/h5-6,9,11-14,17-19,21-22,24,26H,1,7,10,15-16H2,2-4H3/b27-18+
InChIKeyKRMLUEJGDUPKTN-OVVQPSECSA-N
MW359.56 g/mol
LogP6.78
Rot. Bonds6

About N-(1-cyclohexa-2,3-dien-1-ylprop-2-enyl)-1-[6-methyl-3-(5-propan-2-ylcyclohexa-1,3-dien-1-yl)cyclohexa-1,5-dien-1-yl]methanimine

N-(1-cyclohexa-2,3-dien-1-ylprop-2-enyl)-1-[6-methyl-3-(5-propan-2-ylcyclohexa-1,3-dien-1-yl)cyclohexa-1,5-dien-1-yl]methanimine (PubChem CID 135128085) has the molecular formula C26H33N and a molecular weight of 359.56 g/mol. Its IUPAC name is N-(1-cyclohexa-2,3-dien-1-ylprop-2-enyl)-1-[6-methyl-3-(5-propan-2-ylcyclohexa-1,3-dien-1-yl)cyclohexa-1,5-dien-1-yl]methanimine.

Molecular Properties

Compound NameN-(1-cyclohexa-2,3-dien-1-ylprop-2-enyl)-1-[6-methyl-3-(5-propan-2-ylcyclohexa-1,3-dien-1-yl)cyclohexa-1,5-dien-1-yl]methanimine
PubChem CID135128085
Molecular FormulaC26H33N
Molecular Weight359.56 g/mol
Exact Mass359.26
IUPAC NameN-(1-cyclohexa-2,3-dien-1-ylprop-2-enyl)-1-[6-methyl-3-(5-propan-2-ylcyclohexa-1,3-dien-1-yl)cyclohexa-1,5-dien-1-yl]methanimine
SMILESC=CC(/N=C/C1=CC(C2=CC=CC(C(C)C)C2)CC=C1C)C1C=C=CCC1
InChIInChI=1S/C26H33N/c1-5-26(21-10-7-6-8-11-21)27-18-25-17-24(15-14-20(25)4)23-13-9-12-22(16-23)19(2)3/h5-6,9,11-14,17-19,21-22,24,26H,1,7,10,15-16H2,2-4H3/b27-18+
InChIKeyKRMLUEJGDUPKTN-OVVQPSECSA-N
XLogP6.78
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.56
LogP ≤ 56.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyclohexa-2,3-dien-1-ylprop-2-enyl)-1-[6-methyl-3-(5-propan-2-ylcyclohexa-1,3-dien-1-yl)cyclohexa-1,5-dien-1-yl]methanimine?
The IUPAC name of N-(1-cyclohexa-2,3-dien-1-ylprop-2-enyl)-1-[6-methyl-3-(5-propan-2-ylcyclohexa-1,3-dien-1-yl)cyclohexa-1,5-dien-1-yl]methanimine (CID 135128085) is N-(1-cyclohexa-2,3-dien-1-ylprop-2-enyl)-1-[6-methyl-3-(5-propan-2-ylcyclohexa-1,3-dien-1-yl)cyclohexa-1,5-dien-1-yl]methanimine.
What is the SMILES notation for N-(1-cyclohexa-2,3-dien-1-ylprop-2-enyl)-1-[6-methyl-3-(5-propan-2-ylcyclohexa-1,3-dien-1-yl)cyclohexa-1,5-dien-1-yl]methanimine?
The canonical SMILES for N-(1-cyclohexa-2,3-dien-1-ylprop-2-enyl)-1-[6-methyl-3-(5-propan-2-ylcyclohexa-1,3-dien-1-yl)cyclohexa-1,5-dien-1-yl]methanimine is C=CC(/N=C/C1=CC(C2=CC=CC(C(C)C)C2)CC=C1C)C1C=C=CCC1.
What is the InChIKey of N-(1-cyclohexa-2,3-dien-1-ylprop-2-enyl)-1-[6-methyl-3-(5-propan-2-ylcyclohexa-1,3-dien-1-yl)cyclohexa-1,5-dien-1-yl]methanimine?
The InChIKey is KRMLUEJGDUPKTN-OVVQPSECSA-N. The full InChI is InChI=1S/C26H33N/c1-5-26(21-10-7-6-8-11-21)27-18-25-17-24(15-14-20(25)4)23-13-9-12-22(16-23)19(2)3/h5-6,9,11-14,17-19,21-22,24,26H,1,7,10,15-16H2,2-4H3/b27-18+.
What are the key properties of N-(1-cyclohexa-2,3-dien-1-ylprop-2-enyl)-1-[6-methyl-3-(5-propan-2-ylcyclohexa-1,3-dien-1-yl)cyclohexa-1,5-dien-1-yl]methanimine?
N-(1-cyclohexa-2,3-dien-1-ylprop-2-enyl)-1-[6-methyl-3-(5-propan-2-ylcyclohexa-1,3-dien-1-yl)cyclohexa-1,5-dien-1-yl]methanimine has a molecular weight of 359.56 g/mol, XLogP of 6.78, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclohexa-2,3-dien-1-ylprop-2-enyl)-1-[6-methyl-3-(5-propan-2-ylcyclohexa-1,3-dien-1-yl)cyclohexa-1,5-dien-1-yl]methanimine is sourced from PubChem (CID 135128085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).