(Z)-4-N,5-N-bis(3,5-dimethylphenyl)undec-2-ene-4,5-diimine

C27H36N2 — CID 87912225

IUPAC(Z)-4-N,5-N-bis(3,5-dimethylphenyl)undec-2-ene-4,5-diimine
SMILESC/C=C\C(=N/c1cc(C)cc(C)c1)\C(CCCCCC)=N\c1cc(C)cc(C)c1
InChIInChI=1S/C27H36N2/c1-7-9-10-11-13-27(29-25-18-22(5)15-23(6)19-25)26(12-8-2)28-24-16-20(3)14-21(4)17-24/h8,12,14-19H,7,9-11,13H2,1-6H3/b12-8-,28-26+,29-27+
InChIKeyKWNIMWPAINXINV-YYDKOHKFSA-N
MW388.60 g/mol
LogP8.31
Rot. Bonds9

About (Z)-4-N,5-N-bis(3,5-dimethylphenyl)undec-2-ene-4,5-diimine

(Z)-4-N,5-N-bis(3,5-dimethylphenyl)undec-2-ene-4,5-diimine (PubChem CID 87912225) has the molecular formula C27H36N2 and a molecular weight of 388.60 g/mol. Its IUPAC name is (Z)-4-N,5-N-bis(3,5-dimethylphenyl)undec-2-ene-4,5-diimine.

Molecular Properties

Compound Name(Z)-4-N,5-N-bis(3,5-dimethylphenyl)undec-2-ene-4,5-diimine
PubChem CID87912225
Molecular FormulaC27H36N2
Molecular Weight388.60 g/mol
Exact Mass388.29
IUPAC Name(Z)-4-N,5-N-bis(3,5-dimethylphenyl)undec-2-ene-4,5-diimine
SMILESC/C=C\C(=N/c1cc(C)cc(C)c1)\C(CCCCCC)=N\c1cc(C)cc(C)c1
InChIInChI=1S/C27H36N2/c1-7-9-10-11-13-27(29-25-18-22(5)15-23(6)19-25)26(12-8-2)28-24-16-20(3)14-21(4)17-24/h8,12,14-19H,7,9-11,13H2,1-6H3/b12-8-,28-26+,29-27+
InChIKeyKWNIMWPAINXINV-YYDKOHKFSA-N
XLogP8.31
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.60
LogP ≤ 58.31
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

(E)-9-N,10-N-bis(3,5-dimethylphenyl)triacont-11-ene-9,10-diimine;nickel
CID 87911593
6-N,7-N-bis(3,5-dimethylphenyl)nonacosane-6,7-diimine
CID 87911673
(Z)-4-N,5-N-diphenylundec-2-ene-4,5-diimine;nickel
CID 87911857
(Z)-4-N,5-N-bis(4-heptadecylphenyl)tridec-2-ene-4,5-diimine
CID 87910715
(Z)-4-N,5-N-bis(4-heptadecylphenyl)tridec-2-ene-4,5-diimine;nickel
CID 87910714
3-N,4-N-bis(3,5-dimethylphenyl)nonane-3,4-diimine
CID 21033543
(E)-9-N,10-N-bis(3,5-dibutylphenyl)tritriacont-11-ene-9,10-diimine
CID 87876819
6-N-(3,4-diethylphenyl)-5-N-(3,5-dimethylphenyl)tetradecane-5,6-diimine
CID 87911617
(E)-9-N,10-N-bis(3,5-dibutylphenyl)triacont-11-ene-9,10-diimine;nickel
CID 87875887
(E)-7-N-(3,5-diethylphenyl)-8-N-phenylicos-9-ene-7,8-diimine
CID 87911066
(E)-5-N,6-N-bis(3,4-dimethylphenyl)docos-7-ene-5,6-diimine
CID 87912051
6-N-(3,5-dimethylphenyl)-5-N-(3-heptadecylphenyl)undecane-5,6-diimine;palladium
CID 87901192

Frequently Asked Questions

What is the IUPAC name of (Z)-4-N,5-N-bis(3,5-dimethylphenyl)undec-2-ene-4,5-diimine?
The IUPAC name of (Z)-4-N,5-N-bis(3,5-dimethylphenyl)undec-2-ene-4,5-diimine (CID 87912225) is (Z)-4-N,5-N-bis(3,5-dimethylphenyl)undec-2-ene-4,5-diimine.
What is the SMILES notation for (Z)-4-N,5-N-bis(3,5-dimethylphenyl)undec-2-ene-4,5-diimine?
The canonical SMILES for (Z)-4-N,5-N-bis(3,5-dimethylphenyl)undec-2-ene-4,5-diimine is C/C=C\C(=N/c1cc(C)cc(C)c1)\C(CCCCCC)=N\c1cc(C)cc(C)c1.
What is the InChIKey of (Z)-4-N,5-N-bis(3,5-dimethylphenyl)undec-2-ene-4,5-diimine?
The InChIKey is KWNIMWPAINXINV-YYDKOHKFSA-N. The full InChI is InChI=1S/C27H36N2/c1-7-9-10-11-13-27(29-25-18-22(5)15-23(6)19-25)26(12-8-2)28-24-16-20(3)14-21(4)17-24/h8,12,14-19H,7,9-11,13H2,1-6H3/b12-8-,28-26+,29-27+.
What are the key properties of (Z)-4-N,5-N-bis(3,5-dimethylphenyl)undec-2-ene-4,5-diimine?
(Z)-4-N,5-N-bis(3,5-dimethylphenyl)undec-2-ene-4,5-diimine has a molecular weight of 388.60 g/mol, XLogP of 8.31, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-N,5-N-bis(3,5-dimethylphenyl)undec-2-ene-4,5-diimine is sourced from PubChem (CID 87912225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).