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

C23H30N2 — CID 1235168

IUPAC2-N,4-N-bis(2,4,6-trimethylphenyl)pentane-2,4-diimine
SMILESC/C(C/C(C)=N/c1c(C)cc(C)cc1C)=N\c1c(C)cc(C)cc1C
InChIInChI=1S/C23H30N2/c1-14-9-16(3)22(17(4)10-14)24-20(7)13-21(8)25-23-18(5)11-15(2)12-19(23)6/h9-12H,13H2,1-8H3/b24-20+,25-21+
InChIKeyBQPOGAGYMSGBNZ-CTWPWMDCSA-N
MW334.51 g/mol
LogP6.81
Rot. Bonds4

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

2-N,4-N-bis(2,4,6-trimethylphenyl)pentane-2,4-diimine (PubChem CID 1235168) has the molecular formula C23H30N2 and a molecular weight of 334.51 g/mol. Its IUPAC name is 2-N,4-N-bis(2,4,6-trimethylphenyl)pentane-2,4-diimine.

Molecular Properties

Compound Name2-N,4-N-bis(2,4,6-trimethylphenyl)pentane-2,4-diimine
PubChem CID1235168
Molecular FormulaC23H30N2
Molecular Weight334.51 g/mol
Exact Mass334.24
IUPAC Name2-N,4-N-bis(2,4,6-trimethylphenyl)pentane-2,4-diimine
SMILESC/C(C/C(C)=N/c1c(C)cc(C)cc1C)=N\c1c(C)cc(C)cc1C
InChIInChI=1S/C23H30N2/c1-14-9-16(3)22(17(4)10-14)24-20(7)13-21(8)25-23-18(5)11-15(2)12-19(23)6/h9-12H,13H2,1-8H3/b24-20+,25-21+
InChIKeyBQPOGAGYMSGBNZ-CTWPWMDCSA-N
XLogP6.81
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.51
LogP ≤ 56.81
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(2,4,6-trimethylphenyl)pentane-2,4-diimine?
The IUPAC name of 2-N,4-N-bis(2,4,6-trimethylphenyl)pentane-2,4-diimine (CID 1235168) is 2-N,4-N-bis(2,4,6-trimethylphenyl)pentane-2,4-diimine.
What is the SMILES notation for 2-N,4-N-bis(2,4,6-trimethylphenyl)pentane-2,4-diimine?
The canonical SMILES for 2-N,4-N-bis(2,4,6-trimethylphenyl)pentane-2,4-diimine is C/C(C/C(C)=N/c1c(C)cc(C)cc1C)=N\c1c(C)cc(C)cc1C.
What is the InChIKey of 2-N,4-N-bis(2,4,6-trimethylphenyl)pentane-2,4-diimine?
The InChIKey is BQPOGAGYMSGBNZ-CTWPWMDCSA-N. The full InChI is InChI=1S/C23H30N2/c1-14-9-16(3)22(17(4)10-14)24-20(7)13-21(8)25-23-18(5)11-15(2)12-19(23)6/h9-12H,13H2,1-8H3/b24-20+,25-21+.
What are the key properties of 2-N,4-N-bis(2,4,6-trimethylphenyl)pentane-2,4-diimine?
2-N,4-N-bis(2,4,6-trimethylphenyl)pentane-2,4-diimine has a molecular weight of 334.51 g/mol, XLogP of 6.81, 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(2,4,6-trimethylphenyl)pentane-2,4-diimine is sourced from PubChem (CID 1235168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).