2-methyl-1-trimethoxysilylbutane-1,3-diamine

C8H22N2O3Si — CID 174876131

IUPAC2-methyl-1-trimethoxysilylbutane-1,3-diamine
SMILESCO[Si](OC)(OC)C(N)C(C)C(C)N
InChIInChI=1S/C8H22N2O3Si/c1-6(7(2)9)8(10)14(11-3,12-4)13-5/h6-8H,9-10H2,1-5H3
InChIKeyUOPALNIEYWTKHA-UHFFFAOYSA-N
MW222.36 g/mol
LogP-0.29
Rot. Bonds6

About 2-methyl-1-trimethoxysilylbutane-1,3-diamine

2-methyl-1-trimethoxysilylbutane-1,3-diamine (PubChem CID 174876131) has the molecular formula C8H22N2O3Si and a molecular weight of 222.36 g/mol. Its IUPAC name is 2-methyl-1-trimethoxysilylbutane-1,3-diamine.

Molecular Properties

Compound Name2-methyl-1-trimethoxysilylbutane-1,3-diamine
PubChem CID174876131
Molecular FormulaC8H22N2O3Si
Molecular Weight222.36 g/mol
Exact Mass222.14
IUPAC Name2-methyl-1-trimethoxysilylbutane-1,3-diamine
SMILESCO[Si](OC)(OC)C(N)C(C)C(C)N
InChIInChI=1S/C8H22N2O3Si/c1-6(7(2)9)8(10)14(11-3,12-4)13-5/h6-8H,9-10H2,1-5H3
InChIKeyUOPALNIEYWTKHA-UHFFFAOYSA-N
XLogP-0.29
TPSA79.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.36
LogP ≤ 5-0.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 2-methyl-1-trimethoxysilylbutane-1,3-diamine?
The IUPAC name of 2-methyl-1-trimethoxysilylbutane-1,3-diamine (CID 174876131) is 2-methyl-1-trimethoxysilylbutane-1,3-diamine.
What is the SMILES notation for 2-methyl-1-trimethoxysilylbutane-1,3-diamine?
The canonical SMILES for 2-methyl-1-trimethoxysilylbutane-1,3-diamine is CO[Si](OC)(OC)C(N)C(C)C(C)N.
What is the InChIKey of 2-methyl-1-trimethoxysilylbutane-1,3-diamine?
The InChIKey is UOPALNIEYWTKHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H22N2O3Si/c1-6(7(2)9)8(10)14(11-3,12-4)13-5/h6-8H,9-10H2,1-5H3.
What are the key properties of 2-methyl-1-trimethoxysilylbutane-1,3-diamine?
2-methyl-1-trimethoxysilylbutane-1,3-diamine has a molecular weight of 222.36 g/mol, XLogP of -0.29, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-trimethoxysilylbutane-1,3-diamine is sourced from PubChem (CID 174876131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).