N-(3-dipropoxysilylpropyl)-N-(oxiran-2-yl)oxiran-2-amine

C13H27NO4Si — CID 123412814

IUPACN-(3-dipropoxysilylpropyl)-N-(oxiran-2-yl)oxiran-2-amine
SMILESCCCO[SiH](CCCN(C1CO1)C1CO1)OCCC
InChIInChI=1S/C13H27NO4Si/c1-3-7-17-19(18-8-4-2)9-5-6-14(12-10-15-12)13-11-16-13/h12-13,19H,3-11H2,1-2H3
InChIKeyHLPFZNIJPIWOLM-UHFFFAOYSA-N
MW289.45 g/mol
LogP1.46
Rot. Bonds12

About N-(3-dipropoxysilylpropyl)-N-(oxiran-2-yl)oxiran-2-amine

N-(3-dipropoxysilylpropyl)-N-(oxiran-2-yl)oxiran-2-amine (PubChem CID 123412814) has the molecular formula C13H27NO4Si and a molecular weight of 289.45 g/mol. Its IUPAC name is N-(3-dipropoxysilylpropyl)-N-(oxiran-2-yl)oxiran-2-amine.

Molecular Properties

Compound NameN-(3-dipropoxysilylpropyl)-N-(oxiran-2-yl)oxiran-2-amine
PubChem CID123412814
Molecular FormulaC13H27NO4Si
Molecular Weight289.45 g/mol
Exact Mass289.17
IUPAC NameN-(3-dipropoxysilylpropyl)-N-(oxiran-2-yl)oxiran-2-amine
SMILESCCCO[SiH](CCCN(C1CO1)C1CO1)OCCC
InChIInChI=1S/C13H27NO4Si/c1-3-7-17-19(18-8-4-2)9-5-6-14(12-10-15-12)13-11-16-13/h12-13,19H,3-11H2,1-2H3
InChIKeyHLPFZNIJPIWOLM-UHFFFAOYSA-N
XLogP1.46
TPSA46.76 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.45
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-dipropoxysilylpropyl)-N-(oxiran-2-yl)oxiran-2-amine?
The IUPAC name of N-(3-dipropoxysilylpropyl)-N-(oxiran-2-yl)oxiran-2-amine (CID 123412814) is N-(3-dipropoxysilylpropyl)-N-(oxiran-2-yl)oxiran-2-amine.
What is the SMILES notation for N-(3-dipropoxysilylpropyl)-N-(oxiran-2-yl)oxiran-2-amine?
The canonical SMILES for N-(3-dipropoxysilylpropyl)-N-(oxiran-2-yl)oxiran-2-amine is CCCO[SiH](CCCN(C1CO1)C1CO1)OCCC.
What is the InChIKey of N-(3-dipropoxysilylpropyl)-N-(oxiran-2-yl)oxiran-2-amine?
The InChIKey is HLPFZNIJPIWOLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO4Si/c1-3-7-17-19(18-8-4-2)9-5-6-14(12-10-15-12)13-11-16-13/h12-13,19H,3-11H2,1-2H3.
What are the key properties of N-(3-dipropoxysilylpropyl)-N-(oxiran-2-yl)oxiran-2-amine?
N-(3-dipropoxysilylpropyl)-N-(oxiran-2-yl)oxiran-2-amine has a molecular weight of 289.45 g/mol, XLogP of 1.46, 12 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-dipropoxysilylpropyl)-N-(oxiran-2-yl)oxiran-2-amine is sourced from PubChem (CID 123412814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).