1,3-bis(trimethylsilyloxy)-2-(trimethylsilyloxymethyl)propan-2-amine

C13H35NO3Si3 — CID 91696832

IUPAC1,3-bis(trimethylsilyloxy)-2-(trimethylsilyloxymethyl)propan-2-amine
SMILESC[Si](C)(C)OCC(N)(CO[Si](C)(C)C)CO[Si](C)(C)C
InChIInChI=1S/C13H35NO3Si3/c1-18(2,3)15-10-13(14,11-16-19(4,5)6)12-17-20(7,8)9/h10-12,14H2,1-9H3
InChIKeyNLTLKWONUCKHIT-UHFFFAOYSA-N
MW337.69 g/mol
LogP3.24
Rot. Bonds9

About 1,3-bis(trimethylsilyloxy)-2-(trimethylsilyloxymethyl)propan-2-amine

1,3-bis(trimethylsilyloxy)-2-(trimethylsilyloxymethyl)propan-2-amine (PubChem CID 91696832) has the molecular formula C13H35NO3Si3 and a molecular weight of 337.69 g/mol. Its IUPAC name is 1,3-bis(trimethylsilyloxy)-2-(trimethylsilyloxymethyl)propan-2-amine.

Molecular Properties

Compound Name1,3-bis(trimethylsilyloxy)-2-(trimethylsilyloxymethyl)propan-2-amine
PubChem CID91696832
Molecular FormulaC13H35NO3Si3
Molecular Weight337.69 g/mol
Exact Mass337.19
IUPAC Name1,3-bis(trimethylsilyloxy)-2-(trimethylsilyloxymethyl)propan-2-amine
SMILESC[Si](C)(C)OCC(N)(CO[Si](C)(C)C)CO[Si](C)(C)C
InChIInChI=1S/C13H35NO3Si3/c1-18(2,3)15-10-13(14,11-16-19(4,5)6)12-17-20(7,8)9/h10-12,14H2,1-9H3
InChIKeyNLTLKWONUCKHIT-UHFFFAOYSA-N
XLogP3.24
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.69
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 1,3-bis(trimethylsilyloxy)-2-(trimethylsilyloxymethyl)propan-2-amine?
The IUPAC name of 1,3-bis(trimethylsilyloxy)-2-(trimethylsilyloxymethyl)propan-2-amine (CID 91696832) is 1,3-bis(trimethylsilyloxy)-2-(trimethylsilyloxymethyl)propan-2-amine.
What is the SMILES notation for 1,3-bis(trimethylsilyloxy)-2-(trimethylsilyloxymethyl)propan-2-amine?
The canonical SMILES for 1,3-bis(trimethylsilyloxy)-2-(trimethylsilyloxymethyl)propan-2-amine is C[Si](C)(C)OCC(N)(CO[Si](C)(C)C)CO[Si](C)(C)C.
What is the InChIKey of 1,3-bis(trimethylsilyloxy)-2-(trimethylsilyloxymethyl)propan-2-amine?
The InChIKey is NLTLKWONUCKHIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H35NO3Si3/c1-18(2,3)15-10-13(14,11-16-19(4,5)6)12-17-20(7,8)9/h10-12,14H2,1-9H3.
What are the key properties of 1,3-bis(trimethylsilyloxy)-2-(trimethylsilyloxymethyl)propan-2-amine?
1,3-bis(trimethylsilyloxy)-2-(trimethylsilyloxymethyl)propan-2-amine has a molecular weight of 337.69 g/mol, XLogP of 3.24, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(trimethylsilyloxy)-2-(trimethylsilyloxymethyl)propan-2-amine is sourced from PubChem (CID 91696832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).