2-N,3-N-bis(2,6-dimethylphenyl)butane-2,3-diimine

C20H24N2 — CID 589661

IUPAC2-N,3-N-bis(2,6-dimethylphenyl)butane-2,3-diimine
SMILESCC(=N\c1c(C)cccc1C)/C(C)=N/c1c(C)cccc1C
InChIInChI=1S/C20H24N2/c1-13-9-7-10-14(2)19(13)21-17(5)18(6)22-20-15(3)11-8-12-16(20)4/h7-12H,1-6H3/b21-17+,22-18+
InChIKeyXFRDTZDCMXJTNJ-KSTNYAOJSA-N
MW292.43 g/mol
LogP5.81
Rot. Bonds3

About 2-N,3-N-bis(2,6-dimethylphenyl)butane-2,3-diimine

2-N,3-N-bis(2,6-dimethylphenyl)butane-2,3-diimine (PubChem CID 589661) has the molecular formula C20H24N2 and a molecular weight of 292.43 g/mol. Its IUPAC name is 2-N,3-N-bis(2,6-dimethylphenyl)butane-2,3-diimine.

Molecular Properties

Compound Name2-N,3-N-bis(2,6-dimethylphenyl)butane-2,3-diimine
PubChem CID589661
Molecular FormulaC20H24N2
Molecular Weight292.43 g/mol
Exact Mass292.19
IUPAC Name2-N,3-N-bis(2,6-dimethylphenyl)butane-2,3-diimine
SMILESCC(=N\c1c(C)cccc1C)/C(C)=N/c1c(C)cccc1C
InChIInChI=1S/C20H24N2/c1-13-9-7-10-14(2)19(13)21-17(5)18(6)22-20-15(3)11-8-12-16(20)4/h7-12H,1-6H3/b21-17+,22-18+
InChIKeyXFRDTZDCMXJTNJ-KSTNYAOJSA-N
XLogP5.81
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.43
LogP ≤ 55.81
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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Related Compounds

3,3',5,5'-Tetramethylbenzidine
CID 41206
4,4'-Methylenebis[2,6-diethylaniline]
CID 83656
New Fuchsin
CID 14454445
Bis(2,6-diisopropylphenyl)carbodiimide
CID 75100
Benzenamine, 2-ethyl-6-methyl-N-methylene-
CID 118784
Benzenamine, 2,6-diethyl-N-methylene-
CID 93179
4,4'-Methylenebis(2,6-xylidine)
CID 77690
Benzenamine, N,N'-methanetetraylbis(2-methyl-
CID 102025
2,6-Xylyl isothiocyanate
CID 87976
2,3-Bis(2,6-diisopropylphenylimino)butane
CID 608871
N,1-diphenylethan-1-imine
CID 555698
2,3-Butanediimine, N,N'-bis(4-methylphenyl)-
CID 572234

Frequently Asked Questions

What is the IUPAC name of 2-N,3-N-bis(2,6-dimethylphenyl)butane-2,3-diimine?
The IUPAC name of 2-N,3-N-bis(2,6-dimethylphenyl)butane-2,3-diimine (CID 589661) is 2-N,3-N-bis(2,6-dimethylphenyl)butane-2,3-diimine.
What is the SMILES notation for 2-N,3-N-bis(2,6-dimethylphenyl)butane-2,3-diimine?
The canonical SMILES for 2-N,3-N-bis(2,6-dimethylphenyl)butane-2,3-diimine is CC(=N\c1c(C)cccc1C)/C(C)=N/c1c(C)cccc1C.
What is the InChIKey of 2-N,3-N-bis(2,6-dimethylphenyl)butane-2,3-diimine?
The InChIKey is XFRDTZDCMXJTNJ-KSTNYAOJSA-N. The full InChI is InChI=1S/C20H24N2/c1-13-9-7-10-14(2)19(13)21-17(5)18(6)22-20-15(3)11-8-12-16(20)4/h7-12H,1-6H3/b21-17+,22-18+.
What are the key properties of 2-N,3-N-bis(2,6-dimethylphenyl)butane-2,3-diimine?
2-N,3-N-bis(2,6-dimethylphenyl)butane-2,3-diimine has a molecular weight of 292.43 g/mol, XLogP of 5.81, 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(2,6-dimethylphenyl)butane-2,3-diimine is sourced from PubChem (CID 589661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).