3-[[[3-aminopropyl-[3-aminopropyl(dihydroxy)silyl]oxy-hydroxysilyl]oxy-hydroxy-methylsilyl]oxy-dihydroxysilyl]propan-1-amine

C10H33N3O9Si4 — CID 59903289

IUPAC3-[[[3-aminopropyl-[3-aminopropyl(dihydroxy)silyl]oxy-hydroxysilyl]oxy-hydroxy-methylsilyl]oxy-dihydroxysilyl]propan-1-amine
SMILESC[Si](O)(O[Si](O)(O)CCCN)O[Si](O)(CCCN)O[Si](O)(O)CCCN
InChIInChI=1S/C10H33N3O9Si4/c1-23(14,20-24(15,16)8-2-5-11)21-26(19,10-4-7-13)22-25(17,18)9-3-6-12/h14-19H,2-13H2,1H3
InChIKeyARXOSEYUNOMGPO-UHFFFAOYSA-N
MW451.73 g/mol
LogP-3.58
Rot. Bonds15

About 3-[[[3-aminopropyl-[3-aminopropyl(dihydroxy)silyl]oxy-hydroxysilyl]oxy-hydroxy-methylsilyl]oxy-dihydroxysilyl]propan-1-amine

3-[[[3-aminopropyl-[3-aminopropyl(dihydroxy)silyl]oxy-hydroxysilyl]oxy-hydroxy-methylsilyl]oxy-dihydroxysilyl]propan-1-amine (PubChem CID 59903289) has the molecular formula C10H33N3O9Si4 and a molecular weight of 451.73 g/mol. Its IUPAC name is 3-[[[3-aminopropyl-[3-aminopropyl(dihydroxy)silyl]oxy-hydroxysilyl]oxy-hydroxy-methylsilyl]oxy-dihydroxysilyl]propan-1-amine.

Molecular Properties

Compound Name3-[[[3-aminopropyl-[3-aminopropyl(dihydroxy)silyl]oxy-hydroxysilyl]oxy-hydroxy-methylsilyl]oxy-dihydroxysilyl]propan-1-amine
PubChem CID59903289
Molecular FormulaC10H33N3O9Si4
Molecular Weight451.73 g/mol
Exact Mass451.13
IUPAC Name3-[[[3-aminopropyl-[3-aminopropyl(dihydroxy)silyl]oxy-hydroxysilyl]oxy-hydroxy-methylsilyl]oxy-dihydroxysilyl]propan-1-amine
SMILESC[Si](O)(O[Si](O)(O)CCCN)O[Si](O)(CCCN)O[Si](O)(O)CCCN
InChIInChI=1S/C10H33N3O9Si4/c1-23(14,20-24(15,16)8-2-5-11)21-26(19,10-4-7-13)22-25(17,18)9-3-6-12/h14-19H,2-13H2,1H3
InChIKeyARXOSEYUNOMGPO-UHFFFAOYSA-N
XLogP-3.58
TPSA227.13 Ų
H-Bond Donors9
H-Bond Acceptors12
Rotatable Bonds15
Heavy Atoms26
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500451.73
LogP ≤ 5-3.58
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

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Related Compounds

3-[[butyl(dihydroxy)silyl]oxy-dihydroxysilyl]propan-1-amine
CID 165097689
3-(hydroxy-methyl-silylsilyl)propan-1-amine
CID 154505615
hydride;3-[hydroxy(dimethyl)silyl]propan-1-amine;rubidium(1+)
CID 173316515
3-[dimethyl-[2-[tris[2-[3-aminopropyl(dimethyl)silyl]ethyl]silyl]ethyl]silyl]propan-1-amine
CID 102284214
4-[dihydroxy(methyl)silyl]butan-1-amine
CID 147482092
3-[[[[[[3-aminopropyl(dimethyl)silyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]oxy-dimethylsilyl]propan-1-amine
CID 18354066
ethanol;bis(3-[ethoxy(dihydroxy)silyl]propan-1-amine);methane;bis(3-triethoxysilylpropan-1-amine)
CID 167608447
3-[methoxy(dimethyl)silyl]propan-1-amine
CID 2733753
methanol;3-trimethoxysilylpropan-1-amine;hydrochloride
CID 174963553
ethane;methanol;bis(3-trimethoxysilylpropan-1-amine)
CID 158708863
N'-[3-(hydroxy-trimethylsilyloxy-trimethylsilylperoxysilyl)propyl]ethane-1,2-diamine
CID 167605652
3-[dihydroxy-[hydroxy-(3-sulfonatopropyl)-trihydroxysilyloxysilyl]oxysilyl]propane-1-sulfonate;palladium(2+)
CID 139211854

Frequently Asked Questions

What is the IUPAC name of 3-[[[3-aminopropyl-[3-aminopropyl(dihydroxy)silyl]oxy-hydroxysilyl]oxy-hydroxy-methylsilyl]oxy-dihydroxysilyl]propan-1-amine?
The IUPAC name of 3-[[[3-aminopropyl-[3-aminopropyl(dihydroxy)silyl]oxy-hydroxysilyl]oxy-hydroxy-methylsilyl]oxy-dihydroxysilyl]propan-1-amine (CID 59903289) is 3-[[[3-aminopropyl-[3-aminopropyl(dihydroxy)silyl]oxy-hydroxysilyl]oxy-hydroxy-methylsilyl]oxy-dihydroxysilyl]propan-1-amine.
What is the SMILES notation for 3-[[[3-aminopropyl-[3-aminopropyl(dihydroxy)silyl]oxy-hydroxysilyl]oxy-hydroxy-methylsilyl]oxy-dihydroxysilyl]propan-1-amine?
The canonical SMILES for 3-[[[3-aminopropyl-[3-aminopropyl(dihydroxy)silyl]oxy-hydroxysilyl]oxy-hydroxy-methylsilyl]oxy-dihydroxysilyl]propan-1-amine is C[Si](O)(O[Si](O)(O)CCCN)O[Si](O)(CCCN)O[Si](O)(O)CCCN.
What is the InChIKey of 3-[[[3-aminopropyl-[3-aminopropyl(dihydroxy)silyl]oxy-hydroxysilyl]oxy-hydroxy-methylsilyl]oxy-dihydroxysilyl]propan-1-amine?
The InChIKey is ARXOSEYUNOMGPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H33N3O9Si4/c1-23(14,20-24(15,16)8-2-5-11)21-26(19,10-4-7-13)22-25(17,18)9-3-6-12/h14-19H,2-13H2,1H3.
What are the key properties of 3-[[[3-aminopropyl-[3-aminopropyl(dihydroxy)silyl]oxy-hydroxysilyl]oxy-hydroxy-methylsilyl]oxy-dihydroxysilyl]propan-1-amine?
3-[[[3-aminopropyl-[3-aminopropyl(dihydroxy)silyl]oxy-hydroxysilyl]oxy-hydroxy-methylsilyl]oxy-dihydroxysilyl]propan-1-amine has a molecular weight of 451.73 g/mol, XLogP of -3.58, 15 rotatable bonds, 9 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[3-aminopropyl-[3-aminopropyl(dihydroxy)silyl]oxy-hydroxysilyl]oxy-hydroxy-methylsilyl]oxy-dihydroxysilyl]propan-1-amine is sourced from PubChem (CID 59903289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).