3-N-ethyl-1,1,2-trimethoxy-3-propylsilinane-2,3-diamine

C13H30N2O3Si — CID 174973430

IUPAC3-N-ethyl-1,1,2-trimethoxy-3-propylsilinane-2,3-diamine
SMILESCCCC1(NCC)CCC[Si](OC)(OC)C1(N)OC
InChIInChI=1S/C13H30N2O3Si/c1-6-9-12(15-7-2)10-8-11-19(17-4,18-5)13(12,14)16-3/h15H,6-11,14H2,1-5H3
InChIKeyOWNJZSAPTWFIBL-UHFFFAOYSA-N
MW290.48 g/mol
LogP1.50
Rot. Bonds7

About 3-N-ethyl-1,1,2-trimethoxy-3-propylsilinane-2,3-diamine

3-N-ethyl-1,1,2-trimethoxy-3-propylsilinane-2,3-diamine (PubChem CID 174973430) has the molecular formula C13H30N2O3Si and a molecular weight of 290.48 g/mol. Its IUPAC name is 3-N-ethyl-1,1,2-trimethoxy-3-propylsilinane-2,3-diamine.

Molecular Properties

Compound Name3-N-ethyl-1,1,2-trimethoxy-3-propylsilinane-2,3-diamine
PubChem CID174973430
Molecular FormulaC13H30N2O3Si
Molecular Weight290.48 g/mol
Exact Mass290.20
IUPAC Name3-N-ethyl-1,1,2-trimethoxy-3-propylsilinane-2,3-diamine
SMILESCCCC1(NCC)CCC[Si](OC)(OC)C1(N)OC
InChIInChI=1S/C13H30N2O3Si/c1-6-9-12(15-7-2)10-8-11-19(17-4,18-5)13(12,14)16-3/h15H,6-11,14H2,1-5H3
InChIKeyOWNJZSAPTWFIBL-UHFFFAOYSA-N
XLogP1.50
TPSA65.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.48
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

3-N'-(1-aminoethyl)-3-N-ethyl-1,1,2-trimethoxy-2-propylsilinane-3,3-diamine
CID 174427736
3-(1-aminoethyl)-1,1,2-trimethoxy-2-propylsilinan-3-amine
CID 174805272
ethoxyethane;1,1,2-trimethoxy-2-propylsilinane
CID 174297956
chloroethane;1,1,2-trimethoxy-2-propylsilinane
CID 174406233
1-N'-(3-benzyl-1,1,2-trimethoxy-2-propylsilinan-3-yl)ethane-1,1-diamine
CID 174731945
3-chloro-1,1,2-trimethoxy-2-propylsilinane
CID 174351373
methyl prop-2-enoate;1,1,2-trimethoxy-2-propylsilinane
CID 175374557
imidazolidine;1,1,2-trimethoxy-2-propylsilinane
CID 174342842
2-(oxiran-2-ylmethoxymethyl)oxirane;1,1,2-trimethoxy-2-propylsilinane
CID 174317269
3-fluoro-1,1,2-trimethoxy-2-propylsilinane
CID 174485939
hydrogen sulfite;1,1,2-trimethoxy-2-propylsilinane
CID 174790956
1-(1,1,2-trimethoxy-3-methyl-2-propylsilinan-3-yl)prop-2-en-1-one
CID 174647401

Frequently Asked Questions

What is the IUPAC name of 3-N-ethyl-1,1,2-trimethoxy-3-propylsilinane-2,3-diamine?
The IUPAC name of 3-N-ethyl-1,1,2-trimethoxy-3-propylsilinane-2,3-diamine (CID 174973430) is 3-N-ethyl-1,1,2-trimethoxy-3-propylsilinane-2,3-diamine.
What is the SMILES notation for 3-N-ethyl-1,1,2-trimethoxy-3-propylsilinane-2,3-diamine?
The canonical SMILES for 3-N-ethyl-1,1,2-trimethoxy-3-propylsilinane-2,3-diamine is CCCC1(NCC)CCC[Si](OC)(OC)C1(N)OC.
What is the InChIKey of 3-N-ethyl-1,1,2-trimethoxy-3-propylsilinane-2,3-diamine?
The InChIKey is OWNJZSAPTWFIBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30N2O3Si/c1-6-9-12(15-7-2)10-8-11-19(17-4,18-5)13(12,14)16-3/h15H,6-11,14H2,1-5H3.
What are the key properties of 3-N-ethyl-1,1,2-trimethoxy-3-propylsilinane-2,3-diamine?
3-N-ethyl-1,1,2-trimethoxy-3-propylsilinane-2,3-diamine has a molecular weight of 290.48 g/mol, XLogP of 1.50, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-ethyl-1,1,2-trimethoxy-3-propylsilinane-2,3-diamine is sourced from PubChem (CID 174973430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).