2-(1,1,2-trimethoxy-2-propylsilinan-3-yl)ethanamine

C13H29NO3Si — CID 174387047

IUPAC2-(1,1,2-trimethoxy-2-propylsilinan-3-yl)ethanamine
SMILESCCCC1(OC)C(CCN)CCC[Si]1(OC)OC
InChIInChI=1S/C13H29NO3Si/c1-5-9-13(15-2)12(8-10-14)7-6-11-18(13,16-3)17-4/h12H,5-11,14H2,1-4H3
InChIKeyKUUGOOCHMWVXKO-UHFFFAOYSA-N
MW275.46 g/mol
LogP2.20
Rot. Bonds7

About 2-(1,1,2-trimethoxy-2-propylsilinan-3-yl)ethanamine

2-(1,1,2-trimethoxy-2-propylsilinan-3-yl)ethanamine (PubChem CID 174387047) has the molecular formula C13H29NO3Si and a molecular weight of 275.46 g/mol. Its IUPAC name is 2-(1,1,2-trimethoxy-2-propylsilinan-3-yl)ethanamine.

Molecular Properties

Compound Name2-(1,1,2-trimethoxy-2-propylsilinan-3-yl)ethanamine
PubChem CID174387047
Molecular FormulaC13H29NO3Si
Molecular Weight275.46 g/mol
Exact Mass275.19
IUPAC Name2-(1,1,2-trimethoxy-2-propylsilinan-3-yl)ethanamine
SMILESCCCC1(OC)C(CCN)CCC[Si]1(OC)OC
InChIInChI=1S/C13H29NO3Si/c1-5-9-13(15-2)12(8-10-14)7-6-11-18(13,16-3)17-4/h12H,5-11,14H2,1-4H3
InChIKeyKUUGOOCHMWVXKO-UHFFFAOYSA-N
XLogP2.20
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.46
LogP ≤ 52.20
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 2-(1,1,2-trimethoxy-2-propylsilinan-3-yl)ethanamine?
The IUPAC name of 2-(1,1,2-trimethoxy-2-propylsilinan-3-yl)ethanamine (CID 174387047) is 2-(1,1,2-trimethoxy-2-propylsilinan-3-yl)ethanamine.
What is the SMILES notation for 2-(1,1,2-trimethoxy-2-propylsilinan-3-yl)ethanamine?
The canonical SMILES for 2-(1,1,2-trimethoxy-2-propylsilinan-3-yl)ethanamine is CCCC1(OC)C(CCN)CCC[Si]1(OC)OC.
What is the InChIKey of 2-(1,1,2-trimethoxy-2-propylsilinan-3-yl)ethanamine?
The InChIKey is KUUGOOCHMWVXKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29NO3Si/c1-5-9-13(15-2)12(8-10-14)7-6-11-18(13,16-3)17-4/h12H,5-11,14H2,1-4H3.
What are the key properties of 2-(1,1,2-trimethoxy-2-propylsilinan-3-yl)ethanamine?
2-(1,1,2-trimethoxy-2-propylsilinan-3-yl)ethanamine has a molecular weight of 275.46 g/mol, XLogP of 2.20, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1,2-trimethoxy-2-propylsilinan-3-yl)ethanamine is sourced from PubChem (CID 174387047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).