[6-aminohexyl(dimethoxy)silyl]methanol;[3-(5-aminopentylamino)propyl-(hydroxymethyl)-methoxysilyl]methanol;3-[diethoxy(propyl)silyl]propan-1-amine

C30H76N4O8Si3 — CID 162107731

IUPAC[6-aminohexyl(dimethoxy)silyl]methanol;[3-(5-aminopentylamino)propyl-(hydroxymethyl)-methoxysilyl]methanol;3-[diethoxy(propyl)silyl]propan-1-amine
SMILESCCC[Si](CCCN)(OCC)OCC.CO[Si](CO)(CCCCCCN)OC.CO[Si](CO)(CO)CCCNCCCCCN
InChIInChI=1S/C11H28N2O3Si.C10H25NO2Si.C9H23NO3Si/c1-16-17(10-14,11-15)9-5-8-13-7-4-2-3-6-12;1-4-9-14(12-5-2,13-6-3)10-7-8-11;1-12-14(9-11,13-2)8-6-4-3-5-7-10/h13-15H,2-12H2,1H3;4-11H2,1-3H3;11H,3-10H2,1-2H3
InChIKeyZFSQJZFMTUWGET-UHFFFAOYSA-N
MW705.22 g/mol
LogP2.78
Rot. Bonds30

About [6-aminohexyl(dimethoxy)silyl]methanol;[3-(5-aminopentylamino)propyl-(hydroxymethyl)-methoxysilyl]methanol;3-[diethoxy(propyl)silyl]propan-1-amine

[6-aminohexyl(dimethoxy)silyl]methanol;[3-(5-aminopentylamino)propyl-(hydroxymethyl)-methoxysilyl]methanol;3-[diethoxy(propyl)silyl]propan-1-amine (PubChem CID 162107731) has the molecular formula C30H76N4O8Si3 and a molecular weight of 705.22 g/mol. Its IUPAC name is [6-aminohexyl(dimethoxy)silyl]methanol;[3-(5-aminopentylamino)propyl-(hydroxymethyl)-methoxysilyl]methanol;3-[diethoxy(propyl)silyl]propan-1-amine.

Molecular Properties

Compound Name[6-aminohexyl(dimethoxy)silyl]methanol;[3-(5-aminopentylamino)propyl-(hydroxymethyl)-methoxysilyl]methanol;3-[diethoxy(propyl)silyl]propan-1-amine
PubChem CID162107731
Molecular FormulaC30H76N4O8Si3
Molecular Weight705.22 g/mol
Exact Mass704.50
IUPAC Name[6-aminohexyl(dimethoxy)silyl]methanol;[3-(5-aminopentylamino)propyl-(hydroxymethyl)-methoxysilyl]methanol;3-[diethoxy(propyl)silyl]propan-1-amine
SMILESCCC[Si](CCCN)(OCC)OCC.CO[Si](CO)(CCCCCCN)OC.CO[Si](CO)(CO)CCCNCCCCCN
InChIInChI=1S/C11H28N2O3Si.C10H25NO2Si.C9H23NO3Si/c1-16-17(10-14,11-15)9-5-8-13-7-4-2-3-6-12;1-4-9-14(12-5-2,13-6-3)10-7-8-11;1-12-14(9-11,13-2)8-6-4-3-5-7-10/h13-15H,2-12H2,1H3;4-11H2,1-3H3;11H,3-10H2,1-2H3
InChIKeyZFSQJZFMTUWGET-UHFFFAOYSA-N
XLogP2.78
TPSA196.93 Ų
H-Bond Donors7
H-Bond Acceptors12
Rotatable Bonds30
Heavy Atoms45
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500705.22
LogP ≤ 52.78
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1012

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

4-[diethoxy(propyl)silyl]butan-1-amine
CID 139765357
6-[6-aminohexyl(diethoxy)silyl]hexan-1-amine
CID 139707876
N'-(3-trimethoxysilylpropyl)hexane-1,6-diamine
CID 157123454
ethoxy-methoxy-propyl-tetradecylsilane
CID 141078244
N'-[3-[hydroxy(dimethoxy)silyl]propyl]hexane-1,6-diamine
CID 89177405
N'-(11-triethoxysilylundecyl)ethane-1,2-diamine
CID 87195550
N'-(6-trimethoxysilylhexyl)propane-1,3-diamine
CID 54277347
4-[dimethoxy-[4-(propylamino)butyl]silyl]-N-propylbutan-1-amine
CID 140622922
diethoxy-nonyl-propylsilane
CID 139614051
N-ethyl-3-triethoxysilylpropan-1-amine;3-triethoxysilylpropan-1-amine
CID 88688172
N'-(3-triethoxysilylpropyl)ethane-1,2-diamine;N'-(3-trimethoxysilylpropyl)ethane-1,2-diamine
CID 87775603
N'-(8-trimethoxysilyloctyl)ethane-1,2-diamine
CID 132554515

Frequently Asked Questions

What is the IUPAC name of [6-aminohexyl(dimethoxy)silyl]methanol;[3-(5-aminopentylamino)propyl-(hydroxymethyl)-methoxysilyl]methanol;3-[diethoxy(propyl)silyl]propan-1-amine?
The IUPAC name of [6-aminohexyl(dimethoxy)silyl]methanol;[3-(5-aminopentylamino)propyl-(hydroxymethyl)-methoxysilyl]methanol;3-[diethoxy(propyl)silyl]propan-1-amine (CID 162107731) is [6-aminohexyl(dimethoxy)silyl]methanol;[3-(5-aminopentylamino)propyl-(hydroxymethyl)-methoxysilyl]methanol;3-[diethoxy(propyl)silyl]propan-1-amine.
What is the SMILES notation for [6-aminohexyl(dimethoxy)silyl]methanol;[3-(5-aminopentylamino)propyl-(hydroxymethyl)-methoxysilyl]methanol;3-[diethoxy(propyl)silyl]propan-1-amine?
The canonical SMILES for [6-aminohexyl(dimethoxy)silyl]methanol;[3-(5-aminopentylamino)propyl-(hydroxymethyl)-methoxysilyl]methanol;3-[diethoxy(propyl)silyl]propan-1-amine is CCC[Si](CCCN)(OCC)OCC.CO[Si](CO)(CCCCCCN)OC.CO[Si](CO)(CO)CCCNCCCCCN.
What is the InChIKey of [6-aminohexyl(dimethoxy)silyl]methanol;[3-(5-aminopentylamino)propyl-(hydroxymethyl)-methoxysilyl]methanol;3-[diethoxy(propyl)silyl]propan-1-amine?
The InChIKey is ZFSQJZFMTUWGET-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H28N2O3Si.C10H25NO2Si.C9H23NO3Si/c1-16-17(10-14,11-15)9-5-8-13-7-4-2-3-6-12;1-4-9-14(12-5-2,13-6-3)10-7-8-11;1-12-14(9-11,13-2)8-6-4-3-5-7-10/h13-15H,2-12H2,1H3;4-11H2,1-3H3;11H,3-10H2,1-2H3.
What are the key properties of [6-aminohexyl(dimethoxy)silyl]methanol;[3-(5-aminopentylamino)propyl-(hydroxymethyl)-methoxysilyl]methanol;3-[diethoxy(propyl)silyl]propan-1-amine?
[6-aminohexyl(dimethoxy)silyl]methanol;[3-(5-aminopentylamino)propyl-(hydroxymethyl)-methoxysilyl]methanol;3-[diethoxy(propyl)silyl]propan-1-amine has a molecular weight of 705.22 g/mol, XLogP of 2.78, 30 rotatable bonds, 7 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for [6-aminohexyl(dimethoxy)silyl]methanol;[3-(5-aminopentylamino)propyl-(hydroxymethyl)-methoxysilyl]methanol;3-[diethoxy(propyl)silyl]propan-1-amine is sourced from PubChem (CID 162107731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).