2-N,4-N-bis(2,6-dimethylphenyl)pentane-2,4-diimine

C21H26N2 — CID 1235167

IUPAC2-N,4-N-bis(2,6-dimethylphenyl)pentane-2,4-diimine
SMILESC/C(C/C(C)=N/c1c(C)cccc1C)=N\c1c(C)cccc1C
InChIInChI=1S/C21H26N2/c1-14-9-7-10-15(2)20(14)22-18(5)13-19(6)23-21-16(3)11-8-12-17(21)4/h7-12H,13H2,1-6H3/b22-18+,23-19+
InChIKeyCEMJTVILRPHFPF-DPIBHUQISA-N
MW306.45 g/mol
LogP6.20
Rot. Bonds4

About 2-N,4-N-bis(2,6-dimethylphenyl)pentane-2,4-diimine

2-N,4-N-bis(2,6-dimethylphenyl)pentane-2,4-diimine (PubChem CID 1235167) has the molecular formula C21H26N2 and a molecular weight of 306.45 g/mol. Its IUPAC name is 2-N,4-N-bis(2,6-dimethylphenyl)pentane-2,4-diimine.

Molecular Properties

Compound Name2-N,4-N-bis(2,6-dimethylphenyl)pentane-2,4-diimine
PubChem CID1235167
Molecular FormulaC21H26N2
Molecular Weight306.45 g/mol
Exact Mass306.21
IUPAC Name2-N,4-N-bis(2,6-dimethylphenyl)pentane-2,4-diimine
SMILESC/C(C/C(C)=N/c1c(C)cccc1C)=N\c1c(C)cccc1C
InChIInChI=1S/C21H26N2/c1-14-9-7-10-15(2)20(14)22-18(5)13-19(6)23-21-16(3)11-8-12-17(21)4/h7-12H,13H2,1-6H3/b22-18+,23-19+
InChIKeyCEMJTVILRPHFPF-DPIBHUQISA-N
XLogP6.20
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.45
LogP ≤ 56.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-N,4-N-bis(2,6-dimethylphenyl)pentane-2,4-diimine?
The IUPAC name of 2-N,4-N-bis(2,6-dimethylphenyl)pentane-2,4-diimine (CID 1235167) is 2-N,4-N-bis(2,6-dimethylphenyl)pentane-2,4-diimine.
What is the SMILES notation for 2-N,4-N-bis(2,6-dimethylphenyl)pentane-2,4-diimine?
The canonical SMILES for 2-N,4-N-bis(2,6-dimethylphenyl)pentane-2,4-diimine is C/C(C/C(C)=N/c1c(C)cccc1C)=N\c1c(C)cccc1C.
What is the InChIKey of 2-N,4-N-bis(2,6-dimethylphenyl)pentane-2,4-diimine?
The InChIKey is CEMJTVILRPHFPF-DPIBHUQISA-N. The full InChI is InChI=1S/C21H26N2/c1-14-9-7-10-15(2)20(14)22-18(5)13-19(6)23-21-16(3)11-8-12-17(21)4/h7-12H,13H2,1-6H3/b22-18+,23-19+.
What are the key properties of 2-N,4-N-bis(2,6-dimethylphenyl)pentane-2,4-diimine?
2-N,4-N-bis(2,6-dimethylphenyl)pentane-2,4-diimine has a molecular weight of 306.45 g/mol, XLogP of 6.20, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4-N-bis(2,6-dimethylphenyl)pentane-2,4-diimine is sourced from PubChem (CID 1235167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).