[2-[(Z)-4-(4-ethenyl-3-ethylphenyl)-4-ethylhex-2-en-3-yl]-6-methylphenyl]methanimine

C26H33N — CID 163860478

IUPAC[2-[(Z)-4-(4-ethenyl-3-ethylphenyl)-4-ethylhex-2-en-3-yl]-6-methylphenyl]methanimine
SMILES[H]/N=C\c1c(C)cccc1/C(=C\C)C(CC)(CC)c1ccc(C=C)c(CC)c1
InChIInChI=1S/C26H33N/c1-7-20-15-16-22(17-21(20)8-2)26(10-4,11-5)25(9-3)23-14-12-13-19(6)24(23)18-27/h7,9,12-18,27H,1,8,10-11H2,2-6H3/b25-9+,27-18-
InChIKeyPCBQPAPUZLRUHC-OVXQRGNESA-N
MW359.56 g/mol
LogP7.36
Rot. Bonds8

About [2-[(Z)-4-(4-ethenyl-3-ethylphenyl)-4-ethylhex-2-en-3-yl]-6-methylphenyl]methanimine

[2-[(Z)-4-(4-ethenyl-3-ethylphenyl)-4-ethylhex-2-en-3-yl]-6-methylphenyl]methanimine (PubChem CID 163860478) has the molecular formula C26H33N and a molecular weight of 359.56 g/mol. Its IUPAC name is [2-[(Z)-4-(4-ethenyl-3-ethylphenyl)-4-ethylhex-2-en-3-yl]-6-methylphenyl]methanimine.

Molecular Properties

Compound Name[2-[(Z)-4-(4-ethenyl-3-ethylphenyl)-4-ethylhex-2-en-3-yl]-6-methylphenyl]methanimine
PubChem CID163860478
Molecular FormulaC26H33N
Molecular Weight359.56 g/mol
Exact Mass359.26
IUPAC Name[2-[(Z)-4-(4-ethenyl-3-ethylphenyl)-4-ethylhex-2-en-3-yl]-6-methylphenyl]methanimine
SMILES[H]/N=C\c1c(C)cccc1/C(=C\C)C(CC)(CC)c1ccc(C=C)c(CC)c1
InChIInChI=1S/C26H33N/c1-7-20-15-16-22(17-21(20)8-2)26(10-4,11-5)25(9-3)23-14-12-13-19(6)24(23)18-27/h7,9,12-18,27H,1,8,10-11H2,2-6H3/b25-9+,27-18-
InChIKeyPCBQPAPUZLRUHC-OVXQRGNESA-N
XLogP7.36
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.56
LogP ≤ 57.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-[(Z)-4-(4-ethenyl-3-ethylphenyl)-4-ethylhex-2-en-3-yl]-6-methylphenyl]methanimine?
The IUPAC name of [2-[(Z)-4-(4-ethenyl-3-ethylphenyl)-4-ethylhex-2-en-3-yl]-6-methylphenyl]methanimine (CID 163860478) is [2-[(Z)-4-(4-ethenyl-3-ethylphenyl)-4-ethylhex-2-en-3-yl]-6-methylphenyl]methanimine.
What is the SMILES notation for [2-[(Z)-4-(4-ethenyl-3-ethylphenyl)-4-ethylhex-2-en-3-yl]-6-methylphenyl]methanimine?
The canonical SMILES for [2-[(Z)-4-(4-ethenyl-3-ethylphenyl)-4-ethylhex-2-en-3-yl]-6-methylphenyl]methanimine is [H]/N=C\c1c(C)cccc1/C(=C\C)C(CC)(CC)c1ccc(C=C)c(CC)c1.
What is the InChIKey of [2-[(Z)-4-(4-ethenyl-3-ethylphenyl)-4-ethylhex-2-en-3-yl]-6-methylphenyl]methanimine?
The InChIKey is PCBQPAPUZLRUHC-OVXQRGNESA-N. The full InChI is InChI=1S/C26H33N/c1-7-20-15-16-22(17-21(20)8-2)26(10-4,11-5)25(9-3)23-14-12-13-19(6)24(23)18-27/h7,9,12-18,27H,1,8,10-11H2,2-6H3/b25-9+,27-18-.
What are the key properties of [2-[(Z)-4-(4-ethenyl-3-ethylphenyl)-4-ethylhex-2-en-3-yl]-6-methylphenyl]methanimine?
[2-[(Z)-4-(4-ethenyl-3-ethylphenyl)-4-ethylhex-2-en-3-yl]-6-methylphenyl]methanimine has a molecular weight of 359.56 g/mol, XLogP of 7.36, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(Z)-4-(4-ethenyl-3-ethylphenyl)-4-ethylhex-2-en-3-yl]-6-methylphenyl]methanimine is sourced from PubChem (CID 163860478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).