2-N,3-N-bis(2-tert-butylphenyl)butane-2,3-diimine

C24H32N2 — CID 3409800

IUPAC2-N,3-N-bis(2-tert-butylphenyl)butane-2,3-diimine
SMILESCC(=N\c1ccccc1C(C)(C)C)/C(C)=N/c1ccccc1C(C)(C)C
InChIInChI=1S/C24H32N2/c1-17(25-21-15-11-9-13-19(21)23(3,4)5)18(2)26-22-16-12-10-14-20(22)24(6,7)8/h9-16H,1-8H3/b25-17+,26-18+
InChIKeyFRSDUXCWNIPZBA-RPCRKUJJSA-N
MW348.53 g/mol
LogP7.17
Rot. Bonds3

About 2-N,3-N-bis(2-tert-butylphenyl)butane-2,3-diimine

2-N,3-N-bis(2-tert-butylphenyl)butane-2,3-diimine (PubChem CID 3409800) has the molecular formula C24H32N2 and a molecular weight of 348.53 g/mol. Its IUPAC name is 2-N,3-N-bis(2-tert-butylphenyl)butane-2,3-diimine.

Molecular Properties

Compound Name2-N,3-N-bis(2-tert-butylphenyl)butane-2,3-diimine
PubChem CID3409800
Molecular FormulaC24H32N2
Molecular Weight348.53 g/mol
Exact Mass348.26
IUPAC Name2-N,3-N-bis(2-tert-butylphenyl)butane-2,3-diimine
SMILESCC(=N\c1ccccc1C(C)(C)C)/C(C)=N/c1ccccc1C(C)(C)C
InChIInChI=1S/C24H32N2/c1-17(25-21-15-11-9-13-19(21)23(3,4)5)18(2)26-22-16-12-10-14-20(22)24(6,7)8/h9-16H,1-8H3/b25-17+,26-18+
InChIKeyFRSDUXCWNIPZBA-RPCRKUJJSA-N
XLogP7.17
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.53
LogP ≤ 57.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-N,3-N-bis(2-tert-butylphenyl)butane-2,3-diimine?
The IUPAC name of 2-N,3-N-bis(2-tert-butylphenyl)butane-2,3-diimine (CID 3409800) is 2-N,3-N-bis(2-tert-butylphenyl)butane-2,3-diimine.
What is the SMILES notation for 2-N,3-N-bis(2-tert-butylphenyl)butane-2,3-diimine?
The canonical SMILES for 2-N,3-N-bis(2-tert-butylphenyl)butane-2,3-diimine is CC(=N\c1ccccc1C(C)(C)C)/C(C)=N/c1ccccc1C(C)(C)C.
What is the InChIKey of 2-N,3-N-bis(2-tert-butylphenyl)butane-2,3-diimine?
The InChIKey is FRSDUXCWNIPZBA-RPCRKUJJSA-N. The full InChI is InChI=1S/C24H32N2/c1-17(25-21-15-11-9-13-19(21)23(3,4)5)18(2)26-22-16-12-10-14-20(22)24(6,7)8/h9-16H,1-8H3/b25-17+,26-18+.
What are the key properties of 2-N,3-N-bis(2-tert-butylphenyl)butane-2,3-diimine?
2-N,3-N-bis(2-tert-butylphenyl)butane-2,3-diimine has a molecular weight of 348.53 g/mol, XLogP of 7.17, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,3-N-bis(2-tert-butylphenyl)butane-2,3-diimine is sourced from PubChem (CID 3409800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).