3-N'-(1-aminoethyl)-3-N-ethyl-1,1,2-trimethoxy-2-propylsilinane-3,3-diamine

C15H35N3O3Si — CID 174427736

IUPAC3-N'-(1-aminoethyl)-3-N-ethyl-1,1,2-trimethoxy-2-propylsilinane-3,3-diamine
SMILESCCCC1(OC)C(NCC)(NC(C)N)CCC[Si]1(OC)OC
InChIInChI=1S/C15H35N3O3Si/c1-7-10-15(19-4)14(17-8-2,18-13(3)16)11-9-12-22(15,20-5)21-6/h13,17-18H,7-12,16H2,1-6H3
InChIKeyJACIOPOESROUSA-UHFFFAOYSA-N
MW333.55 g/mol
LogP1.44
Rot. Bonds9

About 3-N'-(1-aminoethyl)-3-N-ethyl-1,1,2-trimethoxy-2-propylsilinane-3,3-diamine

3-N'-(1-aminoethyl)-3-N-ethyl-1,1,2-trimethoxy-2-propylsilinane-3,3-diamine (PubChem CID 174427736) has the molecular formula C15H35N3O3Si and a molecular weight of 333.55 g/mol. Its IUPAC name is 3-N'-(1-aminoethyl)-3-N-ethyl-1,1,2-trimethoxy-2-propylsilinane-3,3-diamine.

Molecular Properties

Compound Name3-N'-(1-aminoethyl)-3-N-ethyl-1,1,2-trimethoxy-2-propylsilinane-3,3-diamine
PubChem CID174427736
Molecular FormulaC15H35N3O3Si
Molecular Weight333.55 g/mol
Exact Mass333.24
IUPAC Name3-N'-(1-aminoethyl)-3-N-ethyl-1,1,2-trimethoxy-2-propylsilinane-3,3-diamine
SMILESCCCC1(OC)C(NCC)(NC(C)N)CCC[Si]1(OC)OC
InChIInChI=1S/C15H35N3O3Si/c1-7-10-15(19-4)14(17-8-2,18-13(3)16)11-9-12-22(15,20-5)21-6/h13,17-18H,7-12,16H2,1-6H3
InChIKeyJACIOPOESROUSA-UHFFFAOYSA-N
XLogP1.44
TPSA77.77 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.55
LogP ≤ 51.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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-(1-aminoethyl)-1,1,2-trimethoxy-2-propylsilinan-3-amine
CID 174805272
1-N'-(3-benzyl-1,1,2-trimethoxy-2-propylsilinan-3-yl)ethane-1,1-diamine
CID 174731945
3-N-ethyl-1,1,2-trimethoxy-3-propylsilinane-2,3-diamine
CID 174973430
1-(3-benzyl-1,1,2-trimethoxy-2-propylsilinan-3-yl)ethanamine
CID 174681212
1-(1,1,2-trimethoxy-3-methyl-2-propylsilinan-3-yl)prop-2-en-1-one
CID 174647401
ethoxyethane;1,1,2-trimethoxy-2-propylsilinane
CID 174297956
chloroethane;1,1,2-trimethoxy-2-propylsilinane
CID 174406233
1,1,2-trimethoxy-4-phenyl-2-propylsilinane-3,3,4-triamine
CID 174940753
imidazolidine;1,1,2-trimethoxy-2-propylsilinane
CID 174342842
2-(oxiran-2-ylmethoxymethyl)oxirane;1,1,2-trimethoxy-2-propylsilinane
CID 174317269
hydrogen sulfite;1,1,2-trimethoxy-2-propylsilinane
CID 174790956
methyl prop-2-enoate;1,1,2-trimethoxy-2-propylsilinane
CID 175374557

Frequently Asked Questions

What is the IUPAC name of 3-N'-(1-aminoethyl)-3-N-ethyl-1,1,2-trimethoxy-2-propylsilinane-3,3-diamine?
The IUPAC name of 3-N'-(1-aminoethyl)-3-N-ethyl-1,1,2-trimethoxy-2-propylsilinane-3,3-diamine (CID 174427736) is 3-N'-(1-aminoethyl)-3-N-ethyl-1,1,2-trimethoxy-2-propylsilinane-3,3-diamine.
What is the SMILES notation for 3-N'-(1-aminoethyl)-3-N-ethyl-1,1,2-trimethoxy-2-propylsilinane-3,3-diamine?
The canonical SMILES for 3-N'-(1-aminoethyl)-3-N-ethyl-1,1,2-trimethoxy-2-propylsilinane-3,3-diamine is CCCC1(OC)C(NCC)(NC(C)N)CCC[Si]1(OC)OC.
What is the InChIKey of 3-N'-(1-aminoethyl)-3-N-ethyl-1,1,2-trimethoxy-2-propylsilinane-3,3-diamine?
The InChIKey is JACIOPOESROUSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H35N3O3Si/c1-7-10-15(19-4)14(17-8-2,18-13(3)16)11-9-12-22(15,20-5)21-6/h13,17-18H,7-12,16H2,1-6H3.
What are the key properties of 3-N'-(1-aminoethyl)-3-N-ethyl-1,1,2-trimethoxy-2-propylsilinane-3,3-diamine?
3-N'-(1-aminoethyl)-3-N-ethyl-1,1,2-trimethoxy-2-propylsilinane-3,3-diamine has a molecular weight of 333.55 g/mol, XLogP of 1.44, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N'-(1-aminoethyl)-3-N-ethyl-1,1,2-trimethoxy-2-propylsilinane-3,3-diamine is sourced from PubChem (CID 174427736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).