3-[3,3-bis(2-aminoethyl)-1,1,2-trimethoxysilinan-2-yl]propan-1-amine

C15H35N3O3Si — CID 174403131

IUPAC3-[3,3-bis(2-aminoethyl)-1,1,2-trimethoxysilinan-2-yl]propan-1-amine
SMILESCOC1(CCCN)C(CCN)(CCN)CCC[Si]1(OC)OC
InChIInChI=1S/C15H35N3O3Si/c1-19-15(7-4-10-16)14(8-11-17,9-12-18)6-5-13-22(15,20-2)21-3/h4-13,16-18H2,1-3H3
InChIKeyGNOAUIMRXIIIQW-UHFFFAOYSA-N
MW333.55 g/mol
LogP0.86
Rot. Bonds10

About 3-[3,3-bis(2-aminoethyl)-1,1,2-trimethoxysilinan-2-yl]propan-1-amine

3-[3,3-bis(2-aminoethyl)-1,1,2-trimethoxysilinan-2-yl]propan-1-amine (PubChem CID 174403131) has the molecular formula C15H35N3O3Si and a molecular weight of 333.55 g/mol. Its IUPAC name is 3-[3,3-bis(2-aminoethyl)-1,1,2-trimethoxysilinan-2-yl]propan-1-amine.

Molecular Properties

Compound Name3-[3,3-bis(2-aminoethyl)-1,1,2-trimethoxysilinan-2-yl]propan-1-amine
PubChem CID174403131
Molecular FormulaC15H35N3O3Si
Molecular Weight333.55 g/mol
Exact Mass333.24
IUPAC Name3-[3,3-bis(2-aminoethyl)-1,1,2-trimethoxysilinan-2-yl]propan-1-amine
SMILESCOC1(CCCN)C(CCN)(CCN)CCC[Si]1(OC)OC
InChIInChI=1S/C15H35N3O3Si/c1-19-15(7-4-10-16)14(8-11-17,9-12-18)6-5-13-22(15,20-2)21-3/h4-13,16-18H2,1-3H3
InChIKeyGNOAUIMRXIIIQW-UHFFFAOYSA-N
XLogP0.86
TPSA105.75 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.55
LogP ≤ 50.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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-[3,3-bis(2-aminoethyl)-1,1,2-trimethoxysilinan-2-yl]propan-1-amine?
The IUPAC name of 3-[3,3-bis(2-aminoethyl)-1,1,2-trimethoxysilinan-2-yl]propan-1-amine (CID 174403131) is 3-[3,3-bis(2-aminoethyl)-1,1,2-trimethoxysilinan-2-yl]propan-1-amine.
What is the SMILES notation for 3-[3,3-bis(2-aminoethyl)-1,1,2-trimethoxysilinan-2-yl]propan-1-amine?
The canonical SMILES for 3-[3,3-bis(2-aminoethyl)-1,1,2-trimethoxysilinan-2-yl]propan-1-amine is COC1(CCCN)C(CCN)(CCN)CCC[Si]1(OC)OC.
What is the InChIKey of 3-[3,3-bis(2-aminoethyl)-1,1,2-trimethoxysilinan-2-yl]propan-1-amine?
The InChIKey is GNOAUIMRXIIIQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H35N3O3Si/c1-19-15(7-4-10-16)14(8-11-17,9-12-18)6-5-13-22(15,20-2)21-3/h4-13,16-18H2,1-3H3.
What are the key properties of 3-[3,3-bis(2-aminoethyl)-1,1,2-trimethoxysilinan-2-yl]propan-1-amine?
3-[3,3-bis(2-aminoethyl)-1,1,2-trimethoxysilinan-2-yl]propan-1-amine has a molecular weight of 333.55 g/mol, XLogP of 0.86, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3,3-bis(2-aminoethyl)-1,1,2-trimethoxysilinan-2-yl]propan-1-amine is sourced from PubChem (CID 174403131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).