3-ethyl-1,1,2-trimethoxy-2-propylsilinane;N-propan-2-ylpropan-2-amine

C19H43NO3Si — CID 174649005

IUPAC3-ethyl-1,1,2-trimethoxy-2-propylsilinane;N-propan-2-ylpropan-2-amine
SMILESCC(C)NC(C)C.CCCC1(OC)C(CC)CCC[Si]1(OC)OC
InChIInChI=1S/C13H28O3Si.C6H15N/c1-6-10-13(14-3)12(7-2)9-8-11-17(13,15-4)16-5;1-5(2)7-6(3)4/h12H,6-11H2,1-5H3;5-7H,1-4H3
InChIKeyBAWKJQUVGDGXGM-UHFFFAOYSA-N
MW361.64 g/mol
LogP4.66
Rot. Bonds8

About 3-ethyl-1,1,2-trimethoxy-2-propylsilinane;N-propan-2-ylpropan-2-amine

3-ethyl-1,1,2-trimethoxy-2-propylsilinane;N-propan-2-ylpropan-2-amine (PubChem CID 174649005) has the molecular formula C19H43NO3Si and a molecular weight of 361.64 g/mol. Its IUPAC name is 3-ethyl-1,1,2-trimethoxy-2-propylsilinane;N-propan-2-ylpropan-2-amine.

Molecular Properties

Compound Name3-ethyl-1,1,2-trimethoxy-2-propylsilinane;N-propan-2-ylpropan-2-amine
PubChem CID174649005
Molecular FormulaC19H43NO3Si
Molecular Weight361.64 g/mol
Exact Mass361.30
IUPAC Name3-ethyl-1,1,2-trimethoxy-2-propylsilinane;N-propan-2-ylpropan-2-amine
SMILESCC(C)NC(C)C.CCCC1(OC)C(CC)CCC[Si]1(OC)OC
InChIInChI=1S/C13H28O3Si.C6H15N/c1-6-10-13(14-3)12(7-2)9-8-11-17(13,15-4)16-5;1-5(2)7-6(3)4/h12H,6-11H2,1-5H3;5-7H,1-4H3
InChIKeyBAWKJQUVGDGXGM-UHFFFAOYSA-N
XLogP4.66
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.64
LogP ≤ 54.66
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 3-ethyl-1,1,2-trimethoxy-2-propylsilinane;N-propan-2-ylpropan-2-amine?
The IUPAC name of 3-ethyl-1,1,2-trimethoxy-2-propylsilinane;N-propan-2-ylpropan-2-amine (CID 174649005) is 3-ethyl-1,1,2-trimethoxy-2-propylsilinane;N-propan-2-ylpropan-2-amine.
What is the SMILES notation for 3-ethyl-1,1,2-trimethoxy-2-propylsilinane;N-propan-2-ylpropan-2-amine?
The canonical SMILES for 3-ethyl-1,1,2-trimethoxy-2-propylsilinane;N-propan-2-ylpropan-2-amine is CC(C)NC(C)C.CCCC1(OC)C(CC)CCC[Si]1(OC)OC.
What is the InChIKey of 3-ethyl-1,1,2-trimethoxy-2-propylsilinane;N-propan-2-ylpropan-2-amine?
The InChIKey is BAWKJQUVGDGXGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28O3Si.C6H15N/c1-6-10-13(14-3)12(7-2)9-8-11-17(13,15-4)16-5;1-5(2)7-6(3)4/h12H,6-11H2,1-5H3;5-7H,1-4H3.
What are the key properties of 3-ethyl-1,1,2-trimethoxy-2-propylsilinane;N-propan-2-ylpropan-2-amine?
3-ethyl-1,1,2-trimethoxy-2-propylsilinane;N-propan-2-ylpropan-2-amine has a molecular weight of 361.64 g/mol, XLogP of 4.66, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1,1,2-trimethoxy-2-propylsilinane;N-propan-2-ylpropan-2-amine is sourced from PubChem (CID 174649005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).