CID 165388786

C12H23N2O3Si2 — CID 165388786

IUPAC—
SMILESCO[Si](CCCNc1ccccc1)(OC)OC.N[Si]
InChIInChI=1S/C12H21NO3Si.H2NSi/c1-14-17(15-2,16-3)11-7-10-13-12-8-5-4-6-9-12;1-2/h4-6,8-9,13H,7,10-11H2,1-3H3;1H2
InChIKeyQXPJRAYRRYZYAR-UHFFFAOYSA-N
MW299.50 g/mol
LogP1.40
Rot. Bonds8

About CID 165388786

CID 165388786 (PubChem CID 165388786) has the molecular formula C12H23N2O3Si2 and a molecular weight of 299.50 g/mol.

Molecular Properties

Compound NameCID 165388786
PubChem CID165388786
Molecular FormulaC12H23N2O3Si2
Molecular Weight299.50 g/mol
Exact Mass299.12
IUPAC Name—
SMILESCO[Si](CCCNc1ccccc1)(OC)OC.N[Si]
InChIInChI=1S/C12H21NO3Si.H2NSi/c1-14-17(15-2,16-3)11-7-10-13-12-8-5-4-6-9-12;1-2/h4-6,8-9,13H,7,10-11H2,1-3H3;1H2
InChIKeyQXPJRAYRRYZYAR-UHFFFAOYSA-N
XLogP1.40
TPSA65.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.50
LogP ≤ 51.40
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'}

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Related Compounds

N-[4-[3-anilinopropyl(dimethoxy)silyl]oxybutyl]aniline
CID 151955793
1-N,2-N-bis(3-trimethoxysilylpropyl)benzene-1,2-diamine
CID 19877439
N-[3-[[3-anilinopropyl-[3-anilinopropyl-[3-anilinopropyl-[3-anilinopropyl-[3-anilinopropyl-[3-anilinopropyl-[3-anilinopropyl(diethoxy)silyl]oxy-ethoxysilyl]oxy-ethoxysilyl]oxy-ethoxysilyl]oxy-ethoxysilyl]oxy-ethoxysilyl]oxy-ethoxysilyl]oxy-diethoxysilyl]propyl]aniline
CID 171623543
N-[[aminomethoxy(dimethoxy)silyl]methyl]aniline
CID 175419637
triethoxy(3-isocyanatopropyl)silane;N-(3-trimethoxysilylpropyl)aniline
CID 159457965
N-[5-[ethyl(dimethoxy)silyl]pentyl]aniline
CID 142705911
N-(3-trimethoxysilylpropyl)-3-trimethylsilyloxyaniline
CID 15031795
N-(3-trihydroxysilylpropyl)aniline
CID 140901816
N-(4-methoxybutyl)aniline
CID 13042774
N-(4-trimethylsilylbutyl)aniline
CID 172713134
1,1-diphenyl-N'-(3-trimethoxysilylpropyl)methanediamine
CID 19877442
N-(3-methyl-4-trimethoxysilylbutyl)aniline
CID 21024234

Frequently Asked Questions

What is the IUPAC name of CID 165388786?
The IUPAC name of CID 165388786 (CID 165388786) is not available.
What is the SMILES notation for CID 165388786?
The canonical SMILES for CID 165388786 is CO[Si](CCCNc1ccccc1)(OC)OC.N[Si].
What is the InChIKey of CID 165388786?
The InChIKey is QXPJRAYRRYZYAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO3Si.H2NSi/c1-14-17(15-2,16-3)11-7-10-13-12-8-5-4-6-9-12;1-2/h4-6,8-9,13H,7,10-11H2,1-3H3;1H2.
What are the key properties of CID 165388786?
CID 165388786 has a molecular weight of 299.50 g/mol, XLogP of 1.40, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 165388786 is sourced from PubChem (CID 165388786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).