3-(2-aminoethyl)-3-trimethoxysilylpentane-1,5-diamine

C10H27N3O3Si — CID 18372129

IUPAC3-(2-aminoethyl)-3-trimethoxysilylpentane-1,5-diamine
SMILESCO[Si](OC)(OC)C(CCN)(CCN)CCN
InChIInChI=1S/C10H27N3O3Si/c1-14-17(15-2,16-3)10(4-7-11,5-8-12)6-9-13/h4-9,11-13H2,1-3H3
InChIKeyVHAQXOMYBUEDAL-UHFFFAOYSA-N
MW265.43 g/mol
LogP-0.35
Rot. Bonds10

About 3-(2-aminoethyl)-3-trimethoxysilylpentane-1,5-diamine

3-(2-aminoethyl)-3-trimethoxysilylpentane-1,5-diamine (PubChem CID 18372129) has the molecular formula C10H27N3O3Si and a molecular weight of 265.43 g/mol. Its IUPAC name is 3-(2-aminoethyl)-3-trimethoxysilylpentane-1,5-diamine.

Molecular Properties

Compound Name3-(2-aminoethyl)-3-trimethoxysilylpentane-1,5-diamine
PubChem CID18372129
Molecular FormulaC10H27N3O3Si
Molecular Weight265.43 g/mol
Exact Mass265.18
IUPAC Name3-(2-aminoethyl)-3-trimethoxysilylpentane-1,5-diamine
SMILESCO[Si](OC)(OC)C(CCN)(CCN)CCN
InChIInChI=1S/C10H27N3O3Si/c1-14-17(15-2,16-3)10(4-7-11,5-8-12)6-9-13/h4-9,11-13H2,1-3H3
InChIKeyVHAQXOMYBUEDAL-UHFFFAOYSA-N
XLogP-0.35
TPSA105.75 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.43
LogP ≤ 5-0.35
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-(2-aminoethyl)-3-trimethoxysilylpentane-1,5-diamine?
The IUPAC name of 3-(2-aminoethyl)-3-trimethoxysilylpentane-1,5-diamine (CID 18372129) is 3-(2-aminoethyl)-3-trimethoxysilylpentane-1,5-diamine.
What is the SMILES notation for 3-(2-aminoethyl)-3-trimethoxysilylpentane-1,5-diamine?
The canonical SMILES for 3-(2-aminoethyl)-3-trimethoxysilylpentane-1,5-diamine is CO[Si](OC)(OC)C(CCN)(CCN)CCN.
What is the InChIKey of 3-(2-aminoethyl)-3-trimethoxysilylpentane-1,5-diamine?
The InChIKey is VHAQXOMYBUEDAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H27N3O3Si/c1-14-17(15-2,16-3)10(4-7-11,5-8-12)6-9-13/h4-9,11-13H2,1-3H3.
What are the key properties of 3-(2-aminoethyl)-3-trimethoxysilylpentane-1,5-diamine?
3-(2-aminoethyl)-3-trimethoxysilylpentane-1,5-diamine has a molecular weight of 265.43 g/mol, XLogP of -0.35, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoethyl)-3-trimethoxysilylpentane-1,5-diamine is sourced from PubChem (CID 18372129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).