6-N-(3,4-diethylphenyl)-5-N-(3,5-dimethylphenyl)tetradecane-5,6-diimine

C32H48N2 — CID 87911617

IUPAC6-N-(3,4-diethylphenyl)-5-N-(3,5-dimethylphenyl)tetradecane-5,6-diimine
SMILESCCCCCCCCC(=N\c1ccc(CC)c(CC)c1)/C(CCCC)=N/c1cc(C)cc(C)c1
InChIInChI=1S/C32H48N2/c1-7-11-13-14-15-16-18-32(33-29-20-19-27(9-3)28(10-4)24-29)31(17-12-8-2)34-30-22-25(5)21-26(6)23-30/h19-24H,7-18H2,1-6H3/b33-32+,34-31+
InChIKeyBJYCLWRVYQDGPM-XVUBHQJVSA-N
MW460.75 g/mol
LogP10.21
Rot. Bonds15

About 6-N-(3,4-diethylphenyl)-5-N-(3,5-dimethylphenyl)tetradecane-5,6-diimine

6-N-(3,4-diethylphenyl)-5-N-(3,5-dimethylphenyl)tetradecane-5,6-diimine (PubChem CID 87911617) has the molecular formula C32H48N2 and a molecular weight of 460.75 g/mol. Its IUPAC name is 6-N-(3,4-diethylphenyl)-5-N-(3,5-dimethylphenyl)tetradecane-5,6-diimine.

Molecular Properties

Compound Name6-N-(3,4-diethylphenyl)-5-N-(3,5-dimethylphenyl)tetradecane-5,6-diimine
PubChem CID87911617
Molecular FormulaC32H48N2
Molecular Weight460.75 g/mol
Exact Mass460.38
IUPAC Name6-N-(3,4-diethylphenyl)-5-N-(3,5-dimethylphenyl)tetradecane-5,6-diimine
SMILESCCCCCCCCC(=N\c1ccc(CC)c(CC)c1)/C(CCCC)=N/c1cc(C)cc(C)c1
InChIInChI=1S/C32H48N2/c1-7-11-13-14-15-16-18-32(33-29-20-19-27(9-3)28(10-4)24-29)31(17-12-8-2)34-30-22-25(5)21-26(6)23-30/h19-24H,7-18H2,1-6H3/b33-32+,34-31+
InChIKeyBJYCLWRVYQDGPM-XVUBHQJVSA-N
XLogP10.21
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds15
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.75
LogP ≤ 510.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

5-N,6-N-bis(3,4-diethylphenyl)heptacosane-5,6-diimine;nickel
CID 87911004
6-N,7-N-bis(3,4-diethylphenyl)triacontane-6,7-diimine;nickel
CID 87875400
9-N,10-N-bis(3,4-diethylphenyl)octatriacontane-9,10-diimine;nickel
CID 87911686
3-N,4-N-bis(3,4-diethylphenyl)dodecane-3,4-diimine
CID 21033316
3-N,4-N-bis(3,4-diethylphenyl)decane-3,4-diimine
CID 21033322
5-N,6-N-bis(3,4-diethylphenyl)decane-5,6-diimine;palladium
CID 87875150
6-N,7-N-bis(3,5-dimethylphenyl)nonacosane-6,7-diimine
CID 87911673
2-N,3-N-bis(3,4-diethylphenyl)octane-2,3-diimine
CID 21033373
5-N,6-N-bis(3,4-dibutylphenyl)dodecane-5,6-diimine
CID 21033195
5-N,6-N-bis(3,4-dipropylphenyl)tetradecane-5,6-diimine
CID 21033446
5-N,6-N-bis(3,4-dibutylphenyl)hexadecane-5,6-diimine
CID 21033211
3-N,4-N-bis(3,5-dimethylphenyl)nonane-3,4-diimine
CID 21033543

Frequently Asked Questions

What is the IUPAC name of 6-N-(3,4-diethylphenyl)-5-N-(3,5-dimethylphenyl)tetradecane-5,6-diimine?
The IUPAC name of 6-N-(3,4-diethylphenyl)-5-N-(3,5-dimethylphenyl)tetradecane-5,6-diimine (CID 87911617) is 6-N-(3,4-diethylphenyl)-5-N-(3,5-dimethylphenyl)tetradecane-5,6-diimine.
What is the SMILES notation for 6-N-(3,4-diethylphenyl)-5-N-(3,5-dimethylphenyl)tetradecane-5,6-diimine?
The canonical SMILES for 6-N-(3,4-diethylphenyl)-5-N-(3,5-dimethylphenyl)tetradecane-5,6-diimine is CCCCCCCCC(=N\c1ccc(CC)c(CC)c1)/C(CCCC)=N/c1cc(C)cc(C)c1.
What is the InChIKey of 6-N-(3,4-diethylphenyl)-5-N-(3,5-dimethylphenyl)tetradecane-5,6-diimine?
The InChIKey is BJYCLWRVYQDGPM-XVUBHQJVSA-N. The full InChI is InChI=1S/C32H48N2/c1-7-11-13-14-15-16-18-32(33-29-20-19-27(9-3)28(10-4)24-29)31(17-12-8-2)34-30-22-25(5)21-26(6)23-30/h19-24H,7-18H2,1-6H3/b33-32+,34-31+.
What are the key properties of 6-N-(3,4-diethylphenyl)-5-N-(3,5-dimethylphenyl)tetradecane-5,6-diimine?
6-N-(3,4-diethylphenyl)-5-N-(3,5-dimethylphenyl)tetradecane-5,6-diimine has a molecular weight of 460.75 g/mol, XLogP of 10.21, 15 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(3,4-diethylphenyl)-5-N-(3,5-dimethylphenyl)tetradecane-5,6-diimine is sourced from PubChem (CID 87911617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).