3-dimethoxysilylbutan-2-amine

C6H17NO2Si — CID 173222446

IUPAC3-dimethoxysilylbutan-2-amine
SMILESCO[SiH](OC)C(C)C(C)N
InChIInChI=1S/C6H17NO2Si/c1-5(7)6(2)10(8-3)9-4/h5-6,10H,7H2,1-4H3
InChIKeyQGLRCIJKEFAIQD-UHFFFAOYSA-N
MW163.29 g/mol
LogP0.24
Rot. Bonds4

About 3-dimethoxysilylbutan-2-amine

3-dimethoxysilylbutan-2-amine (PubChem CID 173222446) has the molecular formula C6H17NO2Si and a molecular weight of 163.29 g/mol. Its IUPAC name is 3-dimethoxysilylbutan-2-amine.

Molecular Properties

Compound Name3-dimethoxysilylbutan-2-amine
PubChem CID173222446
Molecular FormulaC6H17NO2Si
Molecular Weight163.29 g/mol
Exact Mass163.10
IUPAC Name3-dimethoxysilylbutan-2-amine
SMILESCO[SiH](OC)C(C)C(C)N
InChIInChI=1S/C6H17NO2Si/c1-5(7)6(2)10(8-3)9-4/h5-6,10H,7H2,1-4H3
InChIKeyQGLRCIJKEFAIQD-UHFFFAOYSA-N
XLogP0.24
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.29
LogP ≤ 50.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-dimethoxysilylbutan-2-amine?
The IUPAC name of 3-dimethoxysilylbutan-2-amine (CID 173222446) is 3-dimethoxysilylbutan-2-amine.
What is the SMILES notation for 3-dimethoxysilylbutan-2-amine?
The canonical SMILES for 3-dimethoxysilylbutan-2-amine is CO[SiH](OC)C(C)C(C)N.
What is the InChIKey of 3-dimethoxysilylbutan-2-amine?
The InChIKey is QGLRCIJKEFAIQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H17NO2Si/c1-5(7)6(2)10(8-3)9-4/h5-6,10H,7H2,1-4H3.
What are the key properties of 3-dimethoxysilylbutan-2-amine?
3-dimethoxysilylbutan-2-amine has a molecular weight of 163.29 g/mol, XLogP of 0.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-dimethoxysilylbutan-2-amine is sourced from PubChem (CID 173222446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).