3-[[(3-aminopropyl-methyl-phenylsilyl)oxy-diphenylsilyl]oxy-methyl-phenylsilyl]propan-1-amine

C32H42N2O2Si3 — CID 140662056

IUPAC3-[[(3-aminopropyl-methyl-phenylsilyl)oxy-diphenylsilyl]oxy-methyl-phenylsilyl]propan-1-amine
SMILESC[Si](CCCN)(O[Si](O[Si](C)(CCCN)c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C32H42N2O2Si3/c1-37(27-15-25-33,29-17-7-3-8-18-29)35-39(31-21-11-5-12-22-31,32-23-13-6-14-24-32)36-38(2,28-16-26-34)30-19-9-4-10-20-30/h3-14,17-24H,15-16,25-28,33-34H2,1-2H3
InChIKeyGYWUCCKYBXFFGW-UHFFFAOYSA-N
MW570.96 g/mol
LogP3.94
Rot. Bonds14

About 3-[[(3-aminopropyl-methyl-phenylsilyl)oxy-diphenylsilyl]oxy-methyl-phenylsilyl]propan-1-amine

3-[[(3-aminopropyl-methyl-phenylsilyl)oxy-diphenylsilyl]oxy-methyl-phenylsilyl]propan-1-amine (PubChem CID 140662056) has the molecular formula C32H42N2O2Si3 and a molecular weight of 570.96 g/mol. Its IUPAC name is 3-[[(3-aminopropyl-methyl-phenylsilyl)oxy-diphenylsilyl]oxy-methyl-phenylsilyl]propan-1-amine.

Molecular Properties

Compound Name3-[[(3-aminopropyl-methyl-phenylsilyl)oxy-diphenylsilyl]oxy-methyl-phenylsilyl]propan-1-amine
PubChem CID140662056
Molecular FormulaC32H42N2O2Si3
Molecular Weight570.96 g/mol
Exact Mass570.26
IUPAC Name3-[[(3-aminopropyl-methyl-phenylsilyl)oxy-diphenylsilyl]oxy-methyl-phenylsilyl]propan-1-amine
SMILESC[Si](CCCN)(O[Si](O[Si](C)(CCCN)c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C32H42N2O2Si3/c1-37(27-15-25-33,29-17-7-3-8-18-29)35-39(31-21-11-5-12-22-31,32-23-13-6-14-24-32)36-38(2,28-16-26-34)30-19-9-4-10-20-30/h3-14,17-24H,15-16,25-28,33-34H2,1-2H3
InChIKeyGYWUCCKYBXFFGW-UHFFFAOYSA-N
XLogP3.94
TPSA70.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500570.96
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

[[aminomethyl(dimethyl)silyl]oxy-dimethylsilyl]methanamine;3-[(3-aminopropyl-methyl-phenylsilyl)oxy-methyl-phenylsilyl]propan-1-amine
CID 91258394
bis[[methyl(diphenyl)silyl]oxy]-diphenylsilane
CID 19905828
3-[hydroxy(diphenyl)silyl]propan-1-amine
CID 164773913
3-[diphenoxy(phenyl)silyl]propan-1-amine
CID 139775070
diphenyl-bis(tripropylsilyloxy)silane
CID 139603904
[acetyloxy-(3-aminopropyl)-phenylsilyl] acetate
CID 90098236
3-[1-[dimethyl(phenyl)silyl]ethoxy-ethoxy-methylsilyl]propan-1-amine
CID 175152153
bis[[methoxy(diphenyl)silyl]oxy]-diphenylsilane
CID 54456197
3-[phenyl-bis(2,2,2-trifluoroethoxy)silyl]propan-1-amine
CID 54356096
3-[[2-[[[[(ethenyl-methyl-phenylsilyl)oxy-diphenylsilyl]oxy-diphenylsilyl]oxy-diphenylsilyl]oxy-methyl-phenylsilyl]ethyl-dimethylsilyl]oxy-dimethylsilyl]propyl 2-methylprop-2-enoate
CID 140810592
methanol;toluene;3-trimethoxysilylpropan-1-amine
CID 174567080
3-[bis(3-aminopropoxy)-phenylsilyl]oxypropan-1-amine
CID 154134057

Frequently Asked Questions

What is the IUPAC name of 3-[[(3-aminopropyl-methyl-phenylsilyl)oxy-diphenylsilyl]oxy-methyl-phenylsilyl]propan-1-amine?
The IUPAC name of 3-[[(3-aminopropyl-methyl-phenylsilyl)oxy-diphenylsilyl]oxy-methyl-phenylsilyl]propan-1-amine (CID 140662056) is 3-[[(3-aminopropyl-methyl-phenylsilyl)oxy-diphenylsilyl]oxy-methyl-phenylsilyl]propan-1-amine.
What is the SMILES notation for 3-[[(3-aminopropyl-methyl-phenylsilyl)oxy-diphenylsilyl]oxy-methyl-phenylsilyl]propan-1-amine?
The canonical SMILES for 3-[[(3-aminopropyl-methyl-phenylsilyl)oxy-diphenylsilyl]oxy-methyl-phenylsilyl]propan-1-amine is C[Si](CCCN)(O[Si](O[Si](C)(CCCN)c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1.
What is the InChIKey of 3-[[(3-aminopropyl-methyl-phenylsilyl)oxy-diphenylsilyl]oxy-methyl-phenylsilyl]propan-1-amine?
The InChIKey is GYWUCCKYBXFFGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H42N2O2Si3/c1-37(27-15-25-33,29-17-7-3-8-18-29)35-39(31-21-11-5-12-22-31,32-23-13-6-14-24-32)36-38(2,28-16-26-34)30-19-9-4-10-20-30/h3-14,17-24H,15-16,25-28,33-34H2,1-2H3.
What are the key properties of 3-[[(3-aminopropyl-methyl-phenylsilyl)oxy-diphenylsilyl]oxy-methyl-phenylsilyl]propan-1-amine?
3-[[(3-aminopropyl-methyl-phenylsilyl)oxy-diphenylsilyl]oxy-methyl-phenylsilyl]propan-1-amine has a molecular weight of 570.96 g/mol, XLogP of 3.94, 14 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(3-aminopropyl-methyl-phenylsilyl)oxy-diphenylsilyl]oxy-methyl-phenylsilyl]propan-1-amine is sourced from PubChem (CID 140662056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).