1,1-diphenyl-N'-(3-trimethoxysilylpropyl)methanediamine

C19H28N2O3Si — CID 19877442

IUPAC1,1-diphenyl-N'-(3-trimethoxysilylpropyl)methanediamine
SMILESCO[Si](CCCNC(N)(c1ccccc1)c1ccccc1)(OC)OC
InChIInChI=1S/C19H28N2O3Si/c1-22-25(23-2,24-3)16-10-15-21-19(20,17-11-6-4-7-12-17)18-13-8-5-9-14-18/h4-9,11-14,21H,10,15-16,20H2,1-3H3
InChIKeyQNVWUAKZSXVHNP-UHFFFAOYSA-N
MW360.53 g/mol
LogP2.70
Rot. Bonds10

About 1,1-diphenyl-N'-(3-trimethoxysilylpropyl)methanediamine

1,1-diphenyl-N'-(3-trimethoxysilylpropyl)methanediamine (PubChem CID 19877442) has the molecular formula C19H28N2O3Si and a molecular weight of 360.53 g/mol. Its IUPAC name is 1,1-diphenyl-N'-(3-trimethoxysilylpropyl)methanediamine.

Molecular Properties

Compound Name1,1-diphenyl-N'-(3-trimethoxysilylpropyl)methanediamine
PubChem CID19877442
Molecular FormulaC19H28N2O3Si
Molecular Weight360.53 g/mol
Exact Mass360.19
IUPAC Name1,1-diphenyl-N'-(3-trimethoxysilylpropyl)methanediamine
SMILESCO[Si](CCCNC(N)(c1ccccc1)c1ccccc1)(OC)OC
InChIInChI=1S/C19H28N2O3Si/c1-22-25(23-2,24-3)16-10-15-21-19(20,17-11-6-4-7-12-17)18-13-8-5-9-14-18/h4-9,11-14,21H,10,15-16,20H2,1-3H3
InChIKeyQNVWUAKZSXVHNP-UHFFFAOYSA-N
XLogP2.70
TPSA65.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.53
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,1-diphenyl-N'-(3-trimethoxysilylpropyl)methanediamine?
The IUPAC name of 1,1-diphenyl-N'-(3-trimethoxysilylpropyl)methanediamine (CID 19877442) is 1,1-diphenyl-N'-(3-trimethoxysilylpropyl)methanediamine.
What is the SMILES notation for 1,1-diphenyl-N'-(3-trimethoxysilylpropyl)methanediamine?
The canonical SMILES for 1,1-diphenyl-N'-(3-trimethoxysilylpropyl)methanediamine is CO[Si](CCCNC(N)(c1ccccc1)c1ccccc1)(OC)OC.
What is the InChIKey of 1,1-diphenyl-N'-(3-trimethoxysilylpropyl)methanediamine?
The InChIKey is QNVWUAKZSXVHNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O3Si/c1-22-25(23-2,24-3)16-10-15-21-19(20,17-11-6-4-7-12-17)18-13-8-5-9-14-18/h4-9,11-14,21H,10,15-16,20H2,1-3H3.
What are the key properties of 1,1-diphenyl-N'-(3-trimethoxysilylpropyl)methanediamine?
1,1-diphenyl-N'-(3-trimethoxysilylpropyl)methanediamine has a molecular weight of 360.53 g/mol, XLogP of 2.70, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-diphenyl-N'-(3-trimethoxysilylpropyl)methanediamine is sourced from PubChem (CID 19877442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).