4-[(3-aminopropyl-methyl-phenylsilyl)methoxy-methyl-phenylsilyl]butan-1-amine

C22H36N2OSi2 — CID 20608301

IUPAC4-[(3-aminopropyl-methyl-phenylsilyl)methoxy-methyl-phenylsilyl]butan-1-amine
SMILESC[Si](CCCN)(CO[Si](C)(CCCCN)c1ccccc1)c1ccccc1
InChIInChI=1S/C22H36N2OSi2/c1-26(18-11-17-24,21-12-5-3-6-13-21)20-25-27(2,19-10-9-16-23)22-14-7-4-8-15-22/h3-8,12-15H,9-11,16-20,23-24H2,1-2H3
InChIKeyHQUIOQVGVXYTCC-UHFFFAOYSA-N
MW400.72 g/mol
LogP3.10
Rot. Bonds12

About 4-[(3-aminopropyl-methyl-phenylsilyl)methoxy-methyl-phenylsilyl]butan-1-amine

4-[(3-aminopropyl-methyl-phenylsilyl)methoxy-methyl-phenylsilyl]butan-1-amine (PubChem CID 20608301) has the molecular formula C22H36N2OSi2 and a molecular weight of 400.72 g/mol. Its IUPAC name is 4-[(3-aminopropyl-methyl-phenylsilyl)methoxy-methyl-phenylsilyl]butan-1-amine.

Molecular Properties

Compound Name4-[(3-aminopropyl-methyl-phenylsilyl)methoxy-methyl-phenylsilyl]butan-1-amine
PubChem CID20608301
Molecular FormulaC22H36N2OSi2
Molecular Weight400.72 g/mol
Exact Mass400.24
IUPAC Name4-[(3-aminopropyl-methyl-phenylsilyl)methoxy-methyl-phenylsilyl]butan-1-amine
SMILESC[Si](CCCN)(CO[Si](C)(CCCCN)c1ccccc1)c1ccccc1
InChIInChI=1S/C22H36N2OSi2/c1-26(18-11-17-24,21-12-5-3-6-13-21)20-25-27(2,19-10-9-16-23)22-14-7-4-8-15-22/h3-8,12-15H,9-11,16-20,23-24H2,1-2H3
InChIKeyHQUIOQVGVXYTCC-UHFFFAOYSA-N
XLogP3.10
TPSA61.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.72
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

Propylamine, 3,3'-(p-phenylenebis(dimethylsilylene))bis-
CID 209685
Propylamine, 3-(diphenylethylsilyl)-
CID 205461
Propylamine, 3-(diphenylmethylsilyl)-, hydrochloride
CID 3050794
Diethoxy(dimethyl)silane;triethoxy(phenyl)silane;3-triethoxysilylpropan-1-amine
CID 6455506
4-[[(1,1-Dimethylethyl)diphenylsilyl]oxy]-1-butanamine
CID 10042117
2-(t-Butyldiphenylsilyloxy)ethylamine
CID 11001043
6-Amino-1-(t-butyldiphenylsilyloxy)hexane
CID 13009541
1-[[(1,1-Dimethylethyl)diphenylsilyl]oxy]-2-propanamine
CID 13615027
3-Amino-1-(t-butyldiphenylsilyloxy)propane
CID 15174653
Bis(isopropylamino)diphenylsilane
CID 66629231
N-diphenylsilylbutan-1-amine
CID 101755832
3,3'-(1,5-Bis(3-aminopropoxy)-3,3-diphenyl-1,5-diethoxytrisiloxane-1,5-diyl)bis-(propane-1-amine)
CID 172053498

Frequently Asked Questions

What is the IUPAC name of 4-[(3-aminopropyl-methyl-phenylsilyl)methoxy-methyl-phenylsilyl]butan-1-amine?
The IUPAC name of 4-[(3-aminopropyl-methyl-phenylsilyl)methoxy-methyl-phenylsilyl]butan-1-amine (CID 20608301) is 4-[(3-aminopropyl-methyl-phenylsilyl)methoxy-methyl-phenylsilyl]butan-1-amine.
What is the SMILES notation for 4-[(3-aminopropyl-methyl-phenylsilyl)methoxy-methyl-phenylsilyl]butan-1-amine?
The canonical SMILES for 4-[(3-aminopropyl-methyl-phenylsilyl)methoxy-methyl-phenylsilyl]butan-1-amine is C[Si](CCCN)(CO[Si](C)(CCCCN)c1ccccc1)c1ccccc1.
What is the InChIKey of 4-[(3-aminopropyl-methyl-phenylsilyl)methoxy-methyl-phenylsilyl]butan-1-amine?
The InChIKey is HQUIOQVGVXYTCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H36N2OSi2/c1-26(18-11-17-24,21-12-5-3-6-13-21)20-25-27(2,19-10-9-16-23)22-14-7-4-8-15-22/h3-8,12-15H,9-11,16-20,23-24H2,1-2H3.
What are the key properties of 4-[(3-aminopropyl-methyl-phenylsilyl)methoxy-methyl-phenylsilyl]butan-1-amine?
4-[(3-aminopropyl-methyl-phenylsilyl)methoxy-methyl-phenylsilyl]butan-1-amine has a molecular weight of 400.72 g/mol, XLogP of 3.10, 12 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-aminopropyl-methyl-phenylsilyl)methoxy-methyl-phenylsilyl]butan-1-amine is sourced from PubChem (CID 20608301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).