3-[diethoxy(methoxy)silyl]propan-1-amine;3-[ethoxy(dimethoxy)silyl]propan-1-amine;3-trimethoxysilylpropan-1-amine

C21H57N3O9Si3 — CID 159243688

IUPAC3-[diethoxy(methoxy)silyl]propan-1-amine;3-[ethoxy(dimethoxy)silyl]propan-1-amine;3-trimethoxysilylpropan-1-amine
SMILESCCO[Si](CCCN)(OC)OC.CCO[Si](CCCN)(OC)OCC.CO[Si](CCCN)(OC)OC
InChIInChI=1S/C8H21NO3Si.C7H19NO3Si.C6H17NO3Si/c1-4-11-13(10-3,12-5-2)8-6-7-9;1-4-11-12(9-2,10-3)7-5-6-8;1-8-11(9-2,10-3)6-4-5-7/h4-9H2,1-3H3;4-8H2,1-3H3;4-7H2,1-3H3
InChIKeyKUKKKSRXCBTHBP-UHFFFAOYSA-N
MW579.96 g/mol
LogP1.81
Rot. Bonds21

About 3-[diethoxy(methoxy)silyl]propan-1-amine;3-[ethoxy(dimethoxy)silyl]propan-1-amine;3-trimethoxysilylpropan-1-amine

3-[diethoxy(methoxy)silyl]propan-1-amine;3-[ethoxy(dimethoxy)silyl]propan-1-amine;3-trimethoxysilylpropan-1-amine (PubChem CID 159243688) has the molecular formula C21H57N3O9Si3 and a molecular weight of 579.96 g/mol. Its IUPAC name is 3-[diethoxy(methoxy)silyl]propan-1-amine;3-[ethoxy(dimethoxy)silyl]propan-1-amine;3-trimethoxysilylpropan-1-amine.

Molecular Properties

Compound Name3-[diethoxy(methoxy)silyl]propan-1-amine;3-[ethoxy(dimethoxy)silyl]propan-1-amine;3-trimethoxysilylpropan-1-amine
PubChem CID159243688
Molecular FormulaC21H57N3O9Si3
Molecular Weight579.96 g/mol
Exact Mass579.34
IUPAC Name3-[diethoxy(methoxy)silyl]propan-1-amine;3-[ethoxy(dimethoxy)silyl]propan-1-amine;3-trimethoxysilylpropan-1-amine
SMILESCCO[Si](CCCN)(OC)OC.CCO[Si](CCCN)(OC)OCC.CO[Si](CCCN)(OC)OC
InChIInChI=1S/C8H21NO3Si.C7H19NO3Si.C6H17NO3Si/c1-4-11-13(10-3,12-5-2)8-6-7-9;1-4-11-12(9-2,10-3)7-5-6-8;1-8-11(9-2,10-3)6-4-5-7/h4-9H2,1-3H3;4-8H2,1-3H3;4-7H2,1-3H3
InChIKeyKUKKKSRXCBTHBP-UHFFFAOYSA-N
XLogP1.81
TPSA161.13 Ų
H-Bond Donors3
H-Bond Acceptors12
Rotatable Bonds21
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500579.96
LogP ≤ 51.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

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

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Related Compounds

3-[[3-aminopropyl-[3-aminopropyl(diethoxy)silyl]oxy-ethoxysilyl]oxy-diethoxysilyl]propan-1-amine
CID 143956342
bis(oxygen(2-));titanium(4+);3-trimethoxysilylpropan-1-amine
CID 161482517
dodecyl-diethoxy-methoxysilane
CID 141483107
butyl-diethoxy-methoxysilane;molecular hydrogen
CID 161363700
3-[methoxy-methyl-(triethoxysilylmethoxy)silyl]propan-1-amine
CID 150311788
36-triethoxysilylhexatriacontan-1-amine
CID 87683625
[3-aminopropyl(diethoxy)silyl] triethyl silicate
CID 22065708
cyclobutane;3-trimethoxysilylpropan-1-amine
CID 175187694
methanol;3-trimethoxysilylpropan-1-amine;hydrochloride
CID 174963553
ethane;methanol;bis(3-trimethoxysilylpropan-1-amine)
CID 158708863
N'-(3-triethoxysilylpropyl)ethane-1,2-diamine;N'-(3-trimethoxysilylpropyl)ethane-1,2-diamine
CID 87775603
12-triethoxysilyldodecan-1-amine;hydrochloride
CID 175579282

Frequently Asked Questions

What is the IUPAC name of 3-[diethoxy(methoxy)silyl]propan-1-amine;3-[ethoxy(dimethoxy)silyl]propan-1-amine;3-trimethoxysilylpropan-1-amine?
The IUPAC name of 3-[diethoxy(methoxy)silyl]propan-1-amine;3-[ethoxy(dimethoxy)silyl]propan-1-amine;3-trimethoxysilylpropan-1-amine (CID 159243688) is 3-[diethoxy(methoxy)silyl]propan-1-amine;3-[ethoxy(dimethoxy)silyl]propan-1-amine;3-trimethoxysilylpropan-1-amine.
What is the SMILES notation for 3-[diethoxy(methoxy)silyl]propan-1-amine;3-[ethoxy(dimethoxy)silyl]propan-1-amine;3-trimethoxysilylpropan-1-amine?
The canonical SMILES for 3-[diethoxy(methoxy)silyl]propan-1-amine;3-[ethoxy(dimethoxy)silyl]propan-1-amine;3-trimethoxysilylpropan-1-amine is CCO[Si](CCCN)(OC)OC.CCO[Si](CCCN)(OC)OCC.CO[Si](CCCN)(OC)OC.
What is the InChIKey of 3-[diethoxy(methoxy)silyl]propan-1-amine;3-[ethoxy(dimethoxy)silyl]propan-1-amine;3-trimethoxysilylpropan-1-amine?
The InChIKey is KUKKKSRXCBTHBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H21NO3Si.C7H19NO3Si.C6H17NO3Si/c1-4-11-13(10-3,12-5-2)8-6-7-9;1-4-11-12(9-2,10-3)7-5-6-8;1-8-11(9-2,10-3)6-4-5-7/h4-9H2,1-3H3;4-8H2,1-3H3;4-7H2,1-3H3.
What are the key properties of 3-[diethoxy(methoxy)silyl]propan-1-amine;3-[ethoxy(dimethoxy)silyl]propan-1-amine;3-trimethoxysilylpropan-1-amine?
3-[diethoxy(methoxy)silyl]propan-1-amine;3-[ethoxy(dimethoxy)silyl]propan-1-amine;3-trimethoxysilylpropan-1-amine has a molecular weight of 579.96 g/mol, XLogP of 1.81, 21 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[diethoxy(methoxy)silyl]propan-1-amine;3-[ethoxy(dimethoxy)silyl]propan-1-amine;3-trimethoxysilylpropan-1-amine is sourced from PubChem (CID 159243688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).