1-N,2-N-bis(3-trimethoxysilylpropyl)benzene-1,2-diamine

C18H36N2O6Si2 — CID 19877439

IUPAC1-N,2-N-bis(3-trimethoxysilylpropyl)benzene-1,2-diamine
SMILESCO[Si](CCCNc1ccccc1NCCC[Si](OC)(OC)OC)(OC)OC
InChIInChI=1S/C18H36N2O6Si2/c1-21-27(22-2,23-3)15-9-13-19-17-11-7-8-12-18(17)20-14-10-16-28(24-4,25-5)26-6/h7-8,11-12,19-20H,9-10,13-16H2,1-6H3
InChIKeyVAIDZAMRYKQFKQ-UHFFFAOYSA-N
MW432.67 g/mol
LogP3.05
Rot. Bonds16

About 1-N,2-N-bis(3-trimethoxysilylpropyl)benzene-1,2-diamine

1-N,2-N-bis(3-trimethoxysilylpropyl)benzene-1,2-diamine (PubChem CID 19877439) has the molecular formula C18H36N2O6Si2 and a molecular weight of 432.67 g/mol. Its IUPAC name is 1-N,2-N-bis(3-trimethoxysilylpropyl)benzene-1,2-diamine.

Molecular Properties

Compound Name1-N,2-N-bis(3-trimethoxysilylpropyl)benzene-1,2-diamine
PubChem CID19877439
Molecular FormulaC18H36N2O6Si2
Molecular Weight432.67 g/mol
Exact Mass432.21
IUPAC Name1-N,2-N-bis(3-trimethoxysilylpropyl)benzene-1,2-diamine
SMILESCO[Si](CCCNc1ccccc1NCCC[Si](OC)(OC)OC)(OC)OC
InChIInChI=1S/C18H36N2O6Si2/c1-21-27(22-2,23-3)15-9-13-19-17-11-7-8-12-18(17)20-14-10-16-28(24-4,25-5)26-6/h7-8,11-12,19-20H,9-10,13-16H2,1-6H3
InChIKeyVAIDZAMRYKQFKQ-UHFFFAOYSA-N
XLogP3.05
TPSA79.44 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds16
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.67
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_NH_alk_C(2)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

1-phenyl-2-[2-(3-trimethoxysilylpropylamino)phenyl]ethane-1,2-dione
CID 67533346
CID 165388786
CID 165388786
N-[4-[3-anilinopropyl(dimethoxy)silyl]oxybutyl]aniline
CID 151955793
N'-(2-methoxyphenyl)butane-1,4-diamine
CID 94254161
1,1-diphenyl-N'-(3-trimethoxysilylpropyl)methanediamine
CID 19877442
1-N,2-N-di(nonyl)benzene-1,2-diamine
CID 141284626
1-amino-9,10-dioxo-4-(3-trimethoxysilylpropylamino)anthracene-2-sulfonic acid
CID 88887362
N-(3-trimethoxysilylpropyl)-3-trimethylsilyloxyaniline
CID 15031795
N'-benzyl-N-(3-trimethoxysilylpropyl)hexane-1,6-diamine;hydrochloride
CID 19829630
2-bromo-N-(4-methoxybutyl)aniline
CID 115735649
1-phenyl-3-(3-trimethoxysilylpropylamino)propan-1-one
CID 156782996
2-methoxy-N-(4-methylpentyl)aniline
CID 83156470

Frequently Asked Questions

What is the IUPAC name of 1-N,2-N-bis(3-trimethoxysilylpropyl)benzene-1,2-diamine?
The IUPAC name of 1-N,2-N-bis(3-trimethoxysilylpropyl)benzene-1,2-diamine (CID 19877439) is 1-N,2-N-bis(3-trimethoxysilylpropyl)benzene-1,2-diamine.
What is the SMILES notation for 1-N,2-N-bis(3-trimethoxysilylpropyl)benzene-1,2-diamine?
The canonical SMILES for 1-N,2-N-bis(3-trimethoxysilylpropyl)benzene-1,2-diamine is CO[Si](CCCNc1ccccc1NCCC[Si](OC)(OC)OC)(OC)OC.
What is the InChIKey of 1-N,2-N-bis(3-trimethoxysilylpropyl)benzene-1,2-diamine?
The InChIKey is VAIDZAMRYKQFKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2O6Si2/c1-21-27(22-2,23-3)15-9-13-19-17-11-7-8-12-18(17)20-14-10-16-28(24-4,25-5)26-6/h7-8,11-12,19-20H,9-10,13-16H2,1-6H3.
What are the key properties of 1-N,2-N-bis(3-trimethoxysilylpropyl)benzene-1,2-diamine?
1-N,2-N-bis(3-trimethoxysilylpropyl)benzene-1,2-diamine has a molecular weight of 432.67 g/mol, XLogP of 3.05, 16 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,2-N-bis(3-trimethoxysilylpropyl)benzene-1,2-diamine is sourced from PubChem (CID 19877439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).