1-N,3-N-bis(2,3-dimethylphenyl)-2,2,4,4-tetramethylcyclobutane-1,3-diimine

C24H30N2 — CID 101020638

IUPAC1-N,3-N-bis(2,3-dimethylphenyl)-2,2,4,4-tetramethylcyclobutane-1,3-diimine
SMILESCc1cccc(N=C2C(C)(C)C(=Nc3cccc(C)c3C)C2(C)C)c1C
InChIInChI=1S/C24H30N2/c1-15-11-9-13-19(17(15)3)25-21-23(5,6)22(24(21,7)8)26-20-14-10-12-16(2)18(20)4/h9-14H,1-8H3/b25-21-,26-22+
InChIKeyJCMAVFHPODWFFM-KOUJMYIZSA-N
MW346.52 g/mol
LogP6.83
Rot. Bonds2

About 1-N,3-N-bis(2,3-dimethylphenyl)-2,2,4,4-tetramethylcyclobutane-1,3-diimine

1-N,3-N-bis(2,3-dimethylphenyl)-2,2,4,4-tetramethylcyclobutane-1,3-diimine (PubChem CID 101020638) has the molecular formula C24H30N2 and a molecular weight of 346.52 g/mol. Its IUPAC name is 1-N,3-N-bis(2,3-dimethylphenyl)-2,2,4,4-tetramethylcyclobutane-1,3-diimine.

Molecular Properties

Compound Name1-N,3-N-bis(2,3-dimethylphenyl)-2,2,4,4-tetramethylcyclobutane-1,3-diimine
PubChem CID101020638
Molecular FormulaC24H30N2
Molecular Weight346.52 g/mol
Exact Mass346.24
IUPAC Name1-N,3-N-bis(2,3-dimethylphenyl)-2,2,4,4-tetramethylcyclobutane-1,3-diimine
SMILESCc1cccc(N=C2C(C)(C)C(=Nc3cccc(C)c3C)C2(C)C)c1C
InChIInChI=1S/C24H30N2/c1-15-11-9-13-19(17(15)3)25-21-23(5,6)22(24(21,7)8)26-20-14-10-12-16(2)18(20)4/h9-14H,1-8H3/b25-21-,26-22+
InChIKeyJCMAVFHPODWFFM-KOUJMYIZSA-N
XLogP6.83
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.52
LogP ≤ 56.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-N,3-N-bis(2,3-dimethylphenyl)-2,2,4,4-tetramethylcyclobutane-1,3-diimine?
The IUPAC name of 1-N,3-N-bis(2,3-dimethylphenyl)-2,2,4,4-tetramethylcyclobutane-1,3-diimine (CID 101020638) is 1-N,3-N-bis(2,3-dimethylphenyl)-2,2,4,4-tetramethylcyclobutane-1,3-diimine.
What is the SMILES notation for 1-N,3-N-bis(2,3-dimethylphenyl)-2,2,4,4-tetramethylcyclobutane-1,3-diimine?
The canonical SMILES for 1-N,3-N-bis(2,3-dimethylphenyl)-2,2,4,4-tetramethylcyclobutane-1,3-diimine is Cc1cccc(N=C2C(C)(C)C(=Nc3cccc(C)c3C)C2(C)C)c1C.
What is the InChIKey of 1-N,3-N-bis(2,3-dimethylphenyl)-2,2,4,4-tetramethylcyclobutane-1,3-diimine?
The InChIKey is JCMAVFHPODWFFM-KOUJMYIZSA-N. The full InChI is InChI=1S/C24H30N2/c1-15-11-9-13-19(17(15)3)25-21-23(5,6)22(24(21,7)8)26-20-14-10-12-16(2)18(20)4/h9-14H,1-8H3/b25-21-,26-22+.
What are the key properties of 1-N,3-N-bis(2,3-dimethylphenyl)-2,2,4,4-tetramethylcyclobutane-1,3-diimine?
1-N,3-N-bis(2,3-dimethylphenyl)-2,2,4,4-tetramethylcyclobutane-1,3-diimine has a molecular weight of 346.52 g/mol, XLogP of 6.83, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,3-N-bis(2,3-dimethylphenyl)-2,2,4,4-tetramethylcyclobutane-1,3-diimine is sourced from PubChem (CID 101020638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).