3-[[dimethoxy-[3-(propylamino)propyl]silyl]oxy-dimethoxysilyl]-N-propylpropan-1-amine

C16H40N2O5Si2 — CID 171623611

IUPAC3-[[dimethoxy-[3-(propylamino)propyl]silyl]oxy-dimethoxysilyl]-N-propylpropan-1-amine
SMILESCCCNCCC[Si](OC)(OC)O[Si](CCCNCCC)(OC)OC
InChIInChI=1S/C16H40N2O5Si2/c1-7-11-17-13-9-15-24(19-3,20-4)23-25(21-5,22-6)16-10-14-18-12-8-2/h17-18H,7-16H2,1-6H3
InChIKeyQXYZTRGBPZVYRS-UHFFFAOYSA-N
MW396.68 g/mol
LogP2.25
Rot. Bonds18

About 3-[[dimethoxy-[3-(propylamino)propyl]silyl]oxy-dimethoxysilyl]-N-propylpropan-1-amine

3-[[dimethoxy-[3-(propylamino)propyl]silyl]oxy-dimethoxysilyl]-N-propylpropan-1-amine (PubChem CID 171623611) has the molecular formula C16H40N2O5Si2 and a molecular weight of 396.68 g/mol. Its IUPAC name is 3-[[dimethoxy-[3-(propylamino)propyl]silyl]oxy-dimethoxysilyl]-N-propylpropan-1-amine.

Molecular Properties

Compound Name3-[[dimethoxy-[3-(propylamino)propyl]silyl]oxy-dimethoxysilyl]-N-propylpropan-1-amine
PubChem CID171623611
Molecular FormulaC16H40N2O5Si2
Molecular Weight396.68 g/mol
Exact Mass396.25
IUPAC Name3-[[dimethoxy-[3-(propylamino)propyl]silyl]oxy-dimethoxysilyl]-N-propylpropan-1-amine
SMILESCCCNCCC[Si](OC)(OC)O[Si](CCCNCCC)(OC)OC
InChIInChI=1S/C16H40N2O5Si2/c1-7-11-17-13-9-15-24(19-3,20-4)23-25(21-5,22-6)16-10-14-18-12-8-2/h17-18H,7-16H2,1-6H3
InChIKeyQXYZTRGBPZVYRS-UHFFFAOYSA-N
XLogP2.25
TPSA70.21 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds18
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.68
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

N-[3-[[3-(butylamino)propyl-[3-(butylamino)propyl-[3-(butylamino)propyl-dimethoxysilyl]oxy-methoxysilyl]oxy-methoxysilyl]oxy-dimethoxysilyl]propyl]butan-1-amine
CID 171623472
molecular hydrogen;3-trimethoxysilyl-N-(3-trimethoxysilylpropyl)propan-1-amine
CID 160982698
N'-[2-[[[2-(2-aminoethylamino)ethyl-[[dimethoxy(propyl)silyl]oxy-methoxy-propylsilyl]oxy-methoxysilyl]oxy-methoxy-propylsilyl]oxy-[dimethoxy(propyl)silyl]oxy-methoxysilyl]ethyl]ethane-1,2-diamine
CID 123991362
N'-[2-(3-trimethoxysilylpropylamino)ethyl]ethane-1,2-diamine
CID 159586592
N-methyl-N'-[2-[2-(3-trimethoxysilylpropylamino)ethylamino]ethyl]ethane-1,2-diamine
CID 134961256
butyl(trimethoxy)silane;hexane;methyl propanoate;N-propyl-3-trimethoxysilylpropan-1-amine;N-(3-trimethoxysilylpropyl)hexan-1-amine
CID 167553649
N-butyl-4-[3-(butylamino)propyl-dimethoxysilyl]oxybutan-1-amine
CID 175131776
N'-(3-trimethoxysilylpropyl)methanediamine
CID 22721317
4-methoxy-N-(3-trimethoxysilylpropyl)butan-1-amine
CID 142739557
N-[3-[[diethoxy-[3-(3-triethoxysilylpropylamino)propyl]silyl]oxy-diethoxysilyl]propyl]-3-triethoxysilylpropan-1-amine
CID 171623585
N-(2-trimethoxysilylethyl)hexan-1-amine
CID 87738268
N'-(3-trimethoxysilylpropyl)hexane-1,6-diamine
CID 157123454

Frequently Asked Questions

What is the IUPAC name of 3-[[dimethoxy-[3-(propylamino)propyl]silyl]oxy-dimethoxysilyl]-N-propylpropan-1-amine?
The IUPAC name of 3-[[dimethoxy-[3-(propylamino)propyl]silyl]oxy-dimethoxysilyl]-N-propylpropan-1-amine (CID 171623611) is 3-[[dimethoxy-[3-(propylamino)propyl]silyl]oxy-dimethoxysilyl]-N-propylpropan-1-amine.
What is the SMILES notation for 3-[[dimethoxy-[3-(propylamino)propyl]silyl]oxy-dimethoxysilyl]-N-propylpropan-1-amine?
The canonical SMILES for 3-[[dimethoxy-[3-(propylamino)propyl]silyl]oxy-dimethoxysilyl]-N-propylpropan-1-amine is CCCNCCC[Si](OC)(OC)O[Si](CCCNCCC)(OC)OC.
What is the InChIKey of 3-[[dimethoxy-[3-(propylamino)propyl]silyl]oxy-dimethoxysilyl]-N-propylpropan-1-amine?
The InChIKey is QXYZTRGBPZVYRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H40N2O5Si2/c1-7-11-17-13-9-15-24(19-3,20-4)23-25(21-5,22-6)16-10-14-18-12-8-2/h17-18H,7-16H2,1-6H3.
What are the key properties of 3-[[dimethoxy-[3-(propylamino)propyl]silyl]oxy-dimethoxysilyl]-N-propylpropan-1-amine?
3-[[dimethoxy-[3-(propylamino)propyl]silyl]oxy-dimethoxysilyl]-N-propylpropan-1-amine has a molecular weight of 396.68 g/mol, XLogP of 2.25, 18 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[dimethoxy-[3-(propylamino)propyl]silyl]oxy-dimethoxysilyl]-N-propylpropan-1-amine is sourced from PubChem (CID 171623611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).