1,3,3-trimethoxy-3-silyl-N-(1,3,3-trimethoxy-3-silylpropyl)propan-1-amine

C12H31NO6Si2 — CID 172996453

IUPAC1,3,3-trimethoxy-3-silyl-N-(1,3,3-trimethoxy-3-silylpropyl)propan-1-amine
SMILESCOC(CC([SiH3])(OC)OC)NC(CC([SiH3])(OC)OC)OC
InChIInChI=1S/C12H31NO6Si2/c1-14-9(7-11(20,16-3)17-4)13-10(15-2)8-12(21,18-5)19-6/h9-10,13H,7-8H2,1-6,20-21H3
InChIKeyOEVIQBDWGBUUBL-UHFFFAOYSA-N
MW341.55 g/mol
LogP-2.07
Rot. Bonds12

About 1,3,3-trimethoxy-3-silyl-N-(1,3,3-trimethoxy-3-silylpropyl)propan-1-amine

1,3,3-trimethoxy-3-silyl-N-(1,3,3-trimethoxy-3-silylpropyl)propan-1-amine (PubChem CID 172996453) has the molecular formula C12H31NO6Si2 and a molecular weight of 341.55 g/mol. Its IUPAC name is 1,3,3-trimethoxy-3-silyl-N-(1,3,3-trimethoxy-3-silylpropyl)propan-1-amine.

Molecular Properties

Compound Name1,3,3-trimethoxy-3-silyl-N-(1,3,3-trimethoxy-3-silylpropyl)propan-1-amine
PubChem CID172996453
Molecular FormulaC12H31NO6Si2
Molecular Weight341.55 g/mol
Exact Mass341.17
IUPAC Name1,3,3-trimethoxy-3-silyl-N-(1,3,3-trimethoxy-3-silylpropyl)propan-1-amine
SMILESCOC(CC([SiH3])(OC)OC)NC(CC([SiH3])(OC)OC)OC
InChIInChI=1S/C12H31NO6Si2/c1-14-9(7-11(20,16-3)17-4)13-10(15-2)8-12(21,18-5)19-6/h9-10,13H,7-8H2,1-6,20-21H3
InChIKeyOEVIQBDWGBUUBL-UHFFFAOYSA-N
XLogP-2.07
TPSA67.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.55
LogP ≤ 5-2.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1,3,3-trimethoxy-3-silylpropan-1-amine
CID 152732178
(3,4,4-trifluoro-1,1-dimethoxybutyl)silane
CID 173091582
(3-isocyanato-1,1,3-trimethoxypropyl)silane
CID 160733039
(1,2,2-trimethoxy-1-silylethyl)silane
CID 173051795
N,1-dimethoxypropan-1-amine
CID 165031120
3,3-dimethoxy-N-propan-2-ylbutan-2-amine
CID 12809167
tert-butyl N-[(1R)-2-hydroxy-1-methoxyethyl]carbamate
CID 51898096
(3-methoxy-2-methylbutan-2-yl)silane
CID 173235836
(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluoro-1,1-dimethoxydecyl)silane
CID 173144574
1,3-dimethoxy-N-methylpropan-1-amine
CID 174961293
1,1,3,3-tetramethoxypentane
CID 173421902
ethane;N-ethyl-1-methoxy-2-methylpropan-2-amine
CID 177317291

Frequently Asked Questions

What is the IUPAC name of 1,3,3-trimethoxy-3-silyl-N-(1,3,3-trimethoxy-3-silylpropyl)propan-1-amine?
The IUPAC name of 1,3,3-trimethoxy-3-silyl-N-(1,3,3-trimethoxy-3-silylpropyl)propan-1-amine (CID 172996453) is 1,3,3-trimethoxy-3-silyl-N-(1,3,3-trimethoxy-3-silylpropyl)propan-1-amine.
What is the SMILES notation for 1,3,3-trimethoxy-3-silyl-N-(1,3,3-trimethoxy-3-silylpropyl)propan-1-amine?
The canonical SMILES for 1,3,3-trimethoxy-3-silyl-N-(1,3,3-trimethoxy-3-silylpropyl)propan-1-amine is COC(CC([SiH3])(OC)OC)NC(CC([SiH3])(OC)OC)OC.
What is the InChIKey of 1,3,3-trimethoxy-3-silyl-N-(1,3,3-trimethoxy-3-silylpropyl)propan-1-amine?
The InChIKey is OEVIQBDWGBUUBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H31NO6Si2/c1-14-9(7-11(20,16-3)17-4)13-10(15-2)8-12(21,18-5)19-6/h9-10,13H,7-8H2,1-6,20-21H3.
What are the key properties of 1,3,3-trimethoxy-3-silyl-N-(1,3,3-trimethoxy-3-silylpropyl)propan-1-amine?
1,3,3-trimethoxy-3-silyl-N-(1,3,3-trimethoxy-3-silylpropyl)propan-1-amine has a molecular weight of 341.55 g/mol, XLogP of -2.07, 12 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,3-trimethoxy-3-silyl-N-(1,3,3-trimethoxy-3-silylpropyl)propan-1-amine is sourced from PubChem (CID 172996453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).