4,6-dimethyl-1,3-bis(2,4,6-trimethylphenyl)-1,3,2-diazaluminane

C23H33AlN2 — CID 134946832

IUPAC4,6-dimethyl-1,3-bis(2,4,6-trimethylphenyl)-1,3,2-diazaluminane
SMILESCc1cc(C)c(N2[AlH]N(c3c(C)cc(C)cc3C)C(C)CC2C)c(C)c1
InChIInChI=1S/C23H32N2.Al.H/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;;/h9-12,20-21H,13H2,1-8H3;;/q-2;+2;
InChIKeyUKYIKIXKDLATBA-UHFFFAOYSA-N
MW364.51 g/mol
LogP5.30
Rot. Bonds2

About 4,6-dimethyl-1,3-bis(2,4,6-trimethylphenyl)-1,3,2-diazaluminane

4,6-dimethyl-1,3-bis(2,4,6-trimethylphenyl)-1,3,2-diazaluminane (PubChem CID 134946832) has the molecular formula C23H33AlN2 and a molecular weight of 364.51 g/mol. Its IUPAC name is 4,6-dimethyl-1,3-bis(2,4,6-trimethylphenyl)-1,3,2-diazaluminane.

Molecular Properties

Compound Name4,6-dimethyl-1,3-bis(2,4,6-trimethylphenyl)-1,3,2-diazaluminane
PubChem CID134946832
Molecular FormulaC23H33AlN2
Molecular Weight364.51 g/mol
Exact Mass364.25
IUPAC Name4,6-dimethyl-1,3-bis(2,4,6-trimethylphenyl)-1,3,2-diazaluminane
SMILESCc1cc(C)c(N2[AlH]N(c3c(C)cc(C)cc3C)C(C)CC2C)c(C)c1
InChIInChI=1S/C23H32N2.Al.H/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;;/h9-12,20-21H,13H2,1-8H3;;/q-2;+2;
InChIKeyUKYIKIXKDLATBA-UHFFFAOYSA-N
XLogP5.30
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.51
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4,6-dimethyl-1,3-bis(2,4,6-trimethylphenyl)-1,3,2-diazaluminane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 134946831
CID 134946831
(2R,6S)-1,2,6-trimethyl-4-(2,4,6-trimethylphenyl)piperazine
CID 170657864
2,4,5-trimethyl-1,3-bis(2,4,6-trimethylphenyl)imidazolidine
CID 20749003
CID 162469513
CID 162469513
bis(1,4-dimethylcyclohexane);1,2,3,5-tetramethylbenzene
CID 158011653
4-(2-chloro-4,6-dimethylphenyl)-1,2,6-trimethylpiperazine
CID 142350924
1-(2,4,6-trimethylphenyl)-2,5-dihydropyrrole
CID 171371589
1,3-bis(2,4,6-trimethylphenyl)-2H-imidazole-2-thiol
CID 71730840
2,4-dimethyl-1-(2,3,4,5,6-pentamethylphenyl)azetidine
CID 58813629
3-methyl-5-(2,4,6-trimethylphenyl)pyrazolidine
CID 78292069
2-amino-1-(3,5,7-trimethyl-2,3-dihydro-1,4-benzothiazin-4-yl)ethanone
CID 84633871
CID 101475276
CID 101475276

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-1,3-bis(2,4,6-trimethylphenyl)-1,3,2-diazaluminane?
The IUPAC name of 4,6-dimethyl-1,3-bis(2,4,6-trimethylphenyl)-1,3,2-diazaluminane (CID 134946832) is 4,6-dimethyl-1,3-bis(2,4,6-trimethylphenyl)-1,3,2-diazaluminane.
What is the SMILES notation for 4,6-dimethyl-1,3-bis(2,4,6-trimethylphenyl)-1,3,2-diazaluminane?
The canonical SMILES for 4,6-dimethyl-1,3-bis(2,4,6-trimethylphenyl)-1,3,2-diazaluminane is Cc1cc(C)c(N2[AlH]N(c3c(C)cc(C)cc3C)C(C)CC2C)c(C)c1.
What is the InChIKey of 4,6-dimethyl-1,3-bis(2,4,6-trimethylphenyl)-1,3,2-diazaluminane?
The InChIKey is UKYIKIXKDLATBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2.Al.H/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;;/h9-12,20-21H,13H2,1-8H3;;/q-2;+2;.
What are the key properties of 4,6-dimethyl-1,3-bis(2,4,6-trimethylphenyl)-1,3,2-diazaluminane?
4,6-dimethyl-1,3-bis(2,4,6-trimethylphenyl)-1,3,2-diazaluminane has a molecular weight of 364.51 g/mol, XLogP of 5.30, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-1,3-bis(2,4,6-trimethylphenyl)-1,3,2-diazaluminane is sourced from PubChem (CID 134946832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).