3-[diethoxy(methyl)silyl]propan-1-amine;3-[dimethoxy(methyl)silyl]propan-1-amine

C14H38N2O4Si2 — CID 18760394

IUPAC3-[diethoxy(methyl)silyl]propan-1-amine;3-[dimethoxy(methyl)silyl]propan-1-amine
SMILESCCO[Si](C)(CCCN)OCC.CO[Si](C)(CCCN)OC
InChIInChI=1S/C8H21NO2Si.C6H17NO2Si/c1-4-10-12(3,11-5-2)8-6-7-9;1-8-10(3,9-2)6-4-5-7/h4-9H2,1-3H3;4-7H2,1-3H3
InChIKeyUKTWXFKRGWYPJY-UHFFFAOYSA-N
MW354.64 g/mol
LogP2.18
Rot. Bonds12

About 3-[diethoxy(methyl)silyl]propan-1-amine;3-[dimethoxy(methyl)silyl]propan-1-amine

3-[diethoxy(methyl)silyl]propan-1-amine;3-[dimethoxy(methyl)silyl]propan-1-amine (PubChem CID 18760394) has the molecular formula C14H38N2O4Si2 and a molecular weight of 354.64 g/mol. Its IUPAC name is 3-[diethoxy(methyl)silyl]propan-1-amine;3-[dimethoxy(methyl)silyl]propan-1-amine.

Molecular Properties

Compound Name3-[diethoxy(methyl)silyl]propan-1-amine;3-[dimethoxy(methyl)silyl]propan-1-amine
PubChem CID18760394
Molecular FormulaC14H38N2O4Si2
Molecular Weight354.64 g/mol
Exact Mass354.24
IUPAC Name3-[diethoxy(methyl)silyl]propan-1-amine;3-[dimethoxy(methyl)silyl]propan-1-amine
SMILESCCO[Si](C)(CCCN)OCC.CO[Si](C)(CCCN)OC
InChIInChI=1S/C8H21NO2Si.C6H17NO2Si/c1-4-10-12(3,11-5-2)8-6-7-9;1-8-10(3,9-2)6-4-5-7/h4-9H2,1-3H3;4-7H2,1-3H3
InChIKeyUKTWXFKRGWYPJY-UHFFFAOYSA-N
XLogP2.18
TPSA88.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.64
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[diethoxy(methyl)silyl]propan-1-amine;3-[dimethoxy(methyl)silyl]propan-1-amine?
The IUPAC name of 3-[diethoxy(methyl)silyl]propan-1-amine;3-[dimethoxy(methyl)silyl]propan-1-amine (CID 18760394) is 3-[diethoxy(methyl)silyl]propan-1-amine;3-[dimethoxy(methyl)silyl]propan-1-amine.
What is the SMILES notation for 3-[diethoxy(methyl)silyl]propan-1-amine;3-[dimethoxy(methyl)silyl]propan-1-amine?
The canonical SMILES for 3-[diethoxy(methyl)silyl]propan-1-amine;3-[dimethoxy(methyl)silyl]propan-1-amine is CCO[Si](C)(CCCN)OCC.CO[Si](C)(CCCN)OC.
What is the InChIKey of 3-[diethoxy(methyl)silyl]propan-1-amine;3-[dimethoxy(methyl)silyl]propan-1-amine?
The InChIKey is UKTWXFKRGWYPJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H21NO2Si.C6H17NO2Si/c1-4-10-12(3,11-5-2)8-6-7-9;1-8-10(3,9-2)6-4-5-7/h4-9H2,1-3H3;4-7H2,1-3H3.
What are the key properties of 3-[diethoxy(methyl)silyl]propan-1-amine;3-[dimethoxy(methyl)silyl]propan-1-amine?
3-[diethoxy(methyl)silyl]propan-1-amine;3-[dimethoxy(methyl)silyl]propan-1-amine has a molecular weight of 354.64 g/mol, XLogP of 2.18, 12 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[diethoxy(methyl)silyl]propan-1-amine;3-[dimethoxy(methyl)silyl]propan-1-amine is sourced from PubChem (CID 18760394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).