1-N,3-N-bis(2,2-dimethylpropyl)benzene-1,3-diamine;bis(trimethylalumane)

C22H46Al2N2 — CID 16685522

IUPAC1-N,3-N-bis(2,2-dimethylpropyl)benzene-1,3-diamine;bis(trimethylalumane)
SMILESCC(C)(C)CNc1cccc(NCC(C)(C)C)c1.C[Al](C)C.C[Al](C)C
InChIInChI=1S/C16H28N2.6CH3.2Al/c1-15(2,3)11-17-13-8-7-9-14(10-13)18-12-16(4,5)6;;;;;;;;/h7-10,17-18H,11-12H2,1-6H3;6*1H3;;
InChIKeyZAJMFIWHFSTYNA-UHFFFAOYSA-N
MW392.59 g/mol
LogP7.34
Rot. Bonds4

About 1-N,3-N-bis(2,2-dimethylpropyl)benzene-1,3-diamine;bis(trimethylalumane)

1-N,3-N-bis(2,2-dimethylpropyl)benzene-1,3-diamine;bis(trimethylalumane) (PubChem CID 16685522) has the molecular formula C22H46Al2N2 and a molecular weight of 392.59 g/mol. Its IUPAC name is 1-N,3-N-bis(2,2-dimethylpropyl)benzene-1,3-diamine;bis(trimethylalumane).

Molecular Properties

Compound Name1-N,3-N-bis(2,2-dimethylpropyl)benzene-1,3-diamine;bis(trimethylalumane)
PubChem CID16685522
Molecular FormulaC22H46Al2N2
Molecular Weight392.59 g/mol
Exact Mass392.33
IUPAC Name1-N,3-N-bis(2,2-dimethylpropyl)benzene-1,3-diamine;bis(trimethylalumane)
SMILESCC(C)(C)CNc1cccc(NCC(C)(C)C)c1.C[Al](C)C.C[Al](C)C
InChIInChI=1S/C16H28N2.6CH3.2Al/c1-15(2,3)11-17-13-8-7-9-14(10-13)18-12-16(4,5)6;;;;;;;;/h7-10,17-18H,11-12H2,1-6H3;6*1H3;;
InChIKeyZAJMFIWHFSTYNA-UHFFFAOYSA-N
XLogP7.34
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.59
LogP ≤ 57.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[3-(2,2-dimethylpropylamino)phenyl]methanol
CID 20785829
1-(2,2-dimethylpropylamino)-3-(sulfamoylamino)benzene
CID 61323721
tert-butyl N-[3-(2,2-dimethylpropylamino)phenyl]carbamate
CID 107239782
N-(2,2-dimethylpropyl)-3-(trifluoromethoxy)aniline
CID 20786166
ethyl 3-(2,2-dimethylpropylamino)benzoate
CID 61325546
3-(2,2-dimethylpropylamino)benzenesulfonamide;methane
CID 159144655
N-(2,2-dimethylpropyl)-3-(4-methyl-1,2,4-triazol-3-yl)aniline
CID 61326180
N-(2,2-dimethylpropyl)-4-methylaniline
CID 20674504
4-bromo-N-(2,2-dimethylpropyl)-3-fluoroaniline
CID 65436695
1-N,2-N-bis(2,2-dimethylpropyl)benzene-1,2-diamine
CID 5250269
1-N,3-N-bis(2-methylpropyl)benzene-1,3-diamine
CID 86210277
1-N-(3-chlorophenyl)-2-methylpropane-1,2-diamine;hydrochloride
CID 156589611

Frequently Asked Questions

What is the IUPAC name of 1-N,3-N-bis(2,2-dimethylpropyl)benzene-1,3-diamine;bis(trimethylalumane)?
The IUPAC name of 1-N,3-N-bis(2,2-dimethylpropyl)benzene-1,3-diamine;bis(trimethylalumane) (CID 16685522) is 1-N,3-N-bis(2,2-dimethylpropyl)benzene-1,3-diamine;bis(trimethylalumane).
What is the SMILES notation for 1-N,3-N-bis(2,2-dimethylpropyl)benzene-1,3-diamine;bis(trimethylalumane)?
The canonical SMILES for 1-N,3-N-bis(2,2-dimethylpropyl)benzene-1,3-diamine;bis(trimethylalumane) is CC(C)(C)CNc1cccc(NCC(C)(C)C)c1.C[Al](C)C.C[Al](C)C.
What is the InChIKey of 1-N,3-N-bis(2,2-dimethylpropyl)benzene-1,3-diamine;bis(trimethylalumane)?
The InChIKey is ZAJMFIWHFSTYNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2.6CH3.2Al/c1-15(2,3)11-17-13-8-7-9-14(10-13)18-12-16(4,5)6;;;;;;;;/h7-10,17-18H,11-12H2,1-6H3;6*1H3;;.
What are the key properties of 1-N,3-N-bis(2,2-dimethylpropyl)benzene-1,3-diamine;bis(trimethylalumane)?
1-N,3-N-bis(2,2-dimethylpropyl)benzene-1,3-diamine;bis(trimethylalumane) has a molecular weight of 392.59 g/mol, XLogP of 7.34, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,3-N-bis(2,2-dimethylpropyl)benzene-1,3-diamine;bis(trimethylalumane) is sourced from PubChem (CID 16685522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).