3-[dibutyl(methoxy)silyl]propan-1-amine

C12H29NOSi — CID 19011192

IUPAC3-[dibutyl(methoxy)silyl]propan-1-amine
SMILESCCCC[Si](CCCC)(CCCN)OC
InChIInChI=1S/C12H29NOSi/c1-4-6-10-15(14-3,11-7-5-2)12-8-9-13/h4-13H2,1-3H3
InChIKeyBXHODFWSUAJJDM-UHFFFAOYSA-N
MW231.46 g/mol
LogP3.53
Rot. Bonds10

About 3-[dibutyl(methoxy)silyl]propan-1-amine

3-[dibutyl(methoxy)silyl]propan-1-amine (PubChem CID 19011192) has the molecular formula C12H29NOSi and a molecular weight of 231.46 g/mol. Its IUPAC name is 3-[dibutyl(methoxy)silyl]propan-1-amine.

Molecular Properties

Compound Name3-[dibutyl(methoxy)silyl]propan-1-amine
PubChem CID19011192
Molecular FormulaC12H29NOSi
Molecular Weight231.46 g/mol
Exact Mass231.20
IUPAC Name3-[dibutyl(methoxy)silyl]propan-1-amine
SMILESCCCC[Si](CCCC)(CCCN)OC
InChIInChI=1S/C12H29NOSi/c1-4-6-10-15(14-3,11-7-5-2)12-8-9-13/h4-13H2,1-3H3
InChIKeyBXHODFWSUAJJDM-UHFFFAOYSA-N
XLogP3.53
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.46
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-[dibutyl(methoxy)silyl]propan-1-amine?
The IUPAC name of 3-[dibutyl(methoxy)silyl]propan-1-amine (CID 19011192) is 3-[dibutyl(methoxy)silyl]propan-1-amine.
What is the SMILES notation for 3-[dibutyl(methoxy)silyl]propan-1-amine?
The canonical SMILES for 3-[dibutyl(methoxy)silyl]propan-1-amine is CCCC[Si](CCCC)(CCCN)OC.
What is the InChIKey of 3-[dibutyl(methoxy)silyl]propan-1-amine?
The InChIKey is BXHODFWSUAJJDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H29NOSi/c1-4-6-10-15(14-3,11-7-5-2)12-8-9-13/h4-13H2,1-3H3.
What are the key properties of 3-[dibutyl(methoxy)silyl]propan-1-amine?
3-[dibutyl(methoxy)silyl]propan-1-amine has a molecular weight of 231.46 g/mol, XLogP of 3.53, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[dibutyl(methoxy)silyl]propan-1-amine is sourced from PubChem (CID 19011192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).