3-(1-aminoethyl)-1,1,2-trimethoxy-2-propylsilinan-3-amine

C13H30N2O3Si — CID 174805272

IUPAC3-(1-aminoethyl)-1,1,2-trimethoxy-2-propylsilinan-3-amine
SMILESCCCC1(OC)C(N)(C(C)N)CCC[Si]1(OC)OC
InChIInChI=1S/C13H30N2O3Si/c1-6-8-13(16-3)12(15,11(2)14)9-7-10-19(13,17-4)18-5/h11H,6-10,14-15H2,1-5H3
InChIKeyYMQZVQQVNJTZPB-UHFFFAOYSA-N
MW290.48 g/mol
LogP1.28
Rot. Bonds6

About 3-(1-aminoethyl)-1,1,2-trimethoxy-2-propylsilinan-3-amine

3-(1-aminoethyl)-1,1,2-trimethoxy-2-propylsilinan-3-amine (PubChem CID 174805272) has the molecular formula C13H30N2O3Si and a molecular weight of 290.48 g/mol. Its IUPAC name is 3-(1-aminoethyl)-1,1,2-trimethoxy-2-propylsilinan-3-amine.

Molecular Properties

Compound Name3-(1-aminoethyl)-1,1,2-trimethoxy-2-propylsilinan-3-amine
PubChem CID174805272
Molecular FormulaC13H30N2O3Si
Molecular Weight290.48 g/mol
Exact Mass290.20
IUPAC Name3-(1-aminoethyl)-1,1,2-trimethoxy-2-propylsilinan-3-amine
SMILESCCCC1(OC)C(N)(C(C)N)CCC[Si]1(OC)OC
InChIInChI=1S/C13H30N2O3Si/c1-6-8-13(16-3)12(15,11(2)14)9-7-10-19(13,17-4)18-5/h11H,6-10,14-15H2,1-5H3
InChIKeyYMQZVQQVNJTZPB-UHFFFAOYSA-N
XLogP1.28
TPSA79.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.48
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', '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
1-(3-benzyl-1,1,2-trimethoxy-2-propylsilinan-3-yl)ethanamine
CID 174681212
1-N'-(3-benzyl-1,1,2-trimethoxy-2-propylsilinan-3-yl)ethane-1,1-diamine
CID 174731945
1-(1,1,2-trimethoxy-3-methyl-2-propylsilinan-3-yl)prop-2-en-1-one
CID 174647401
1,1,2-trimethoxy-4-phenyl-2-propylsilinane-3,3,4-triamine
CID 174940753
3-N-ethyl-1,1,2-trimethoxy-3-propylsilinane-2,3-diamine
CID 174973430
chloroethane;1,1,2-trimethoxy-2-propylsilinane
CID 174406233
2-methyl-3-(1,1,2-trimethoxysilinan-2-yl)propan-1-amine
CID 174519087
ethoxyethane;1,1,2-trimethoxy-2-propylsilinane
CID 174297956
1-(1-aminoethyl)-2,2-dimethylcyclopentan-1-amine
CID 146176674
imidazolidine;1,1,2-trimethoxy-2-propylsilinane
CID 174342842
3-fluoro-1,1,2-trimethoxy-2-propylsilinane
CID 174485939

Frequently Asked Questions

What is the IUPAC name of 3-(1-aminoethyl)-1,1,2-trimethoxy-2-propylsilinan-3-amine?
The IUPAC name of 3-(1-aminoethyl)-1,1,2-trimethoxy-2-propylsilinan-3-amine (CID 174805272) is 3-(1-aminoethyl)-1,1,2-trimethoxy-2-propylsilinan-3-amine.
What is the SMILES notation for 3-(1-aminoethyl)-1,1,2-trimethoxy-2-propylsilinan-3-amine?
The canonical SMILES for 3-(1-aminoethyl)-1,1,2-trimethoxy-2-propylsilinan-3-amine is CCCC1(OC)C(N)(C(C)N)CCC[Si]1(OC)OC.
What is the InChIKey of 3-(1-aminoethyl)-1,1,2-trimethoxy-2-propylsilinan-3-amine?
The InChIKey is YMQZVQQVNJTZPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30N2O3Si/c1-6-8-13(16-3)12(15,11(2)14)9-7-10-19(13,17-4)18-5/h11H,6-10,14-15H2,1-5H3.
What are the key properties of 3-(1-aminoethyl)-1,1,2-trimethoxy-2-propylsilinan-3-amine?
3-(1-aminoethyl)-1,1,2-trimethoxy-2-propylsilinan-3-amine has a molecular weight of 290.48 g/mol, XLogP of 1.28, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-aminoethyl)-1,1,2-trimethoxy-2-propylsilinan-3-amine is sourced from PubChem (CID 174805272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).