N-(3-butyl-5-ethylphenyl)-1-(3,4-diethyl-5-hexylphenyl)-2-methylpent-1-en-3-imine

C34H51N — CID 87820430

IUPACN-(3-butyl-5-ethylphenyl)-1-(3,4-diethyl-5-hexylphenyl)-2-methylpent-1-en-3-imine
SMILESCCCCCCc1cc(C=C(C)/C(CC)=N/c2cc(CC)cc(CCCC)c2)cc(CC)c1CC
InChIInChI=1S/C34H51N/c1-8-14-16-17-19-31-23-29(22-30(11-4)33(31)12-5)20-26(7)34(13-6)35-32-24-27(10-3)21-28(25-32)18-15-9-2/h20-25H,8-19H2,1-7H3/b26-20?,35-34+
InChIKeyQWCNBDMCRYURJA-YOVTXKSNSA-N
MW473.79 g/mol
LogP10.43
Rot. Bonds15

About N-(3-butyl-5-ethylphenyl)-1-(3,4-diethyl-5-hexylphenyl)-2-methylpent-1-en-3-imine

N-(3-butyl-5-ethylphenyl)-1-(3,4-diethyl-5-hexylphenyl)-2-methylpent-1-en-3-imine (PubChem CID 87820430) has the molecular formula C34H51N and a molecular weight of 473.79 g/mol. Its IUPAC name is N-(3-butyl-5-ethylphenyl)-1-(3,4-diethyl-5-hexylphenyl)-2-methylpent-1-en-3-imine.

Molecular Properties

Compound NameN-(3-butyl-5-ethylphenyl)-1-(3,4-diethyl-5-hexylphenyl)-2-methylpent-1-en-3-imine
PubChem CID87820430
Molecular FormulaC34H51N
Molecular Weight473.79 g/mol
Exact Mass473.40
IUPAC NameN-(3-butyl-5-ethylphenyl)-1-(3,4-diethyl-5-hexylphenyl)-2-methylpent-1-en-3-imine
SMILESCCCCCCc1cc(C=C(C)/C(CC)=N/c2cc(CC)cc(CCCC)c2)cc(CC)c1CC
InChIInChI=1S/C34H51N/c1-8-14-16-17-19-31-23-29(22-30(11-4)33(31)12-5)20-26(7)34(13-6)35-32-24-27(10-3)21-28(25-32)18-15-9-2/h20-25H,8-19H2,1-7H3/b26-20?,35-34+
InChIKeyQWCNBDMCRYURJA-YOVTXKSNSA-N
XLogP10.43
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds15
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.79
LogP ≤ 510.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(4-butyl-3-ethyl-5-hexylphenyl)prop-1-en-2-yl-(3,4-diethyl-5-octylphenyl)diazene
CID 87820169
3-N,4-N-bis(3,5-dipentylphenyl)octane-3,4-diimine
CID 21033571
9-N,10-N-bis(3,5-dibutylphenyl)octadecane-9,10-diimine
CID 21033461
5-N,6-N-bis(3,5-dipentylphenyl)dodecane-5,6-diimine;5-ethyl-3-pentylbenzene-1,2-diolate;nickel(2+)
CID 158089514
(E)-3-N,4-N-bis(3,5-dibutylphenyl)hexadec-5-ene-3,4-diimine;palladium
CID 87912507
9-N,10-N-bis(3,5-dipentylphenyl)octadecane-9,10-diimine;nickel
CID 87912252
6-N,7-N-bis(3,5-dipentylphenyl)tridecane-6,7-diimine;nickel
CID 87876162
6-N,7-N-bis(3,5-dipentylphenyl)dotriacontane-6,7-diimine;nickel
CID 87912378
5-N,6-N-bis(3,5-dibutylphenyl)dodecane-5,6-diimine;palladium
CID 87912205
1-ethyl-3,5-di(tetradecyl)benzene
CID 91801932
5-N,6-N-bis(3,5-dipentylphenyl)undecane-5,6-diimine
CID 21033594
3-N,4-N-bis(3,5-diethylphenyl)octane-3,4-diimine
CID 87874647

Frequently Asked Questions

What is the IUPAC name of N-(3-butyl-5-ethylphenyl)-1-(3,4-diethyl-5-hexylphenyl)-2-methylpent-1-en-3-imine?
The IUPAC name of N-(3-butyl-5-ethylphenyl)-1-(3,4-diethyl-5-hexylphenyl)-2-methylpent-1-en-3-imine (CID 87820430) is N-(3-butyl-5-ethylphenyl)-1-(3,4-diethyl-5-hexylphenyl)-2-methylpent-1-en-3-imine.
What is the SMILES notation for N-(3-butyl-5-ethylphenyl)-1-(3,4-diethyl-5-hexylphenyl)-2-methylpent-1-en-3-imine?
The canonical SMILES for N-(3-butyl-5-ethylphenyl)-1-(3,4-diethyl-5-hexylphenyl)-2-methylpent-1-en-3-imine is CCCCCCc1cc(C=C(C)/C(CC)=N/c2cc(CC)cc(CCCC)c2)cc(CC)c1CC.
What is the InChIKey of N-(3-butyl-5-ethylphenyl)-1-(3,4-diethyl-5-hexylphenyl)-2-methylpent-1-en-3-imine?
The InChIKey is QWCNBDMCRYURJA-YOVTXKSNSA-N. The full InChI is InChI=1S/C34H51N/c1-8-14-16-17-19-31-23-29(22-30(11-4)33(31)12-5)20-26(7)34(13-6)35-32-24-27(10-3)21-28(25-32)18-15-9-2/h20-25H,8-19H2,1-7H3/b26-20?,35-34+.
What are the key properties of N-(3-butyl-5-ethylphenyl)-1-(3,4-diethyl-5-hexylphenyl)-2-methylpent-1-en-3-imine?
N-(3-butyl-5-ethylphenyl)-1-(3,4-diethyl-5-hexylphenyl)-2-methylpent-1-en-3-imine has a molecular weight of 473.79 g/mol, XLogP of 10.43, 15 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-butyl-5-ethylphenyl)-1-(3,4-diethyl-5-hexylphenyl)-2-methylpent-1-en-3-imine is sourced from PubChem (CID 87820430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).