1-trihydroxysilylethane-1,1-diamine

C2H10N2O3Si — CID 87685375

IUPAC1-trihydroxysilylethane-1,1-diamine
SMILESCC(N)(N)[Si](O)(O)O
InChIInChI=1S/C2H10N2O3Si/c1-2(3,4)8(5,6)7/h5-7H,3-4H2,1H3
InChIKeyDMVGXCYJHSLPAU-UHFFFAOYSA-N
MW138.20 g/mol
LogP-2.92
Rot. Bonds1

About 1-trihydroxysilylethane-1,1-diamine

1-trihydroxysilylethane-1,1-diamine (PubChem CID 87685375) has the molecular formula C2H10N2O3Si and a molecular weight of 138.20 g/mol. Its IUPAC name is 1-trihydroxysilylethane-1,1-diamine.

Molecular Properties

Compound Name1-trihydroxysilylethane-1,1-diamine
PubChem CID87685375
Molecular FormulaC2H10N2O3Si
Molecular Weight138.20 g/mol
Exact Mass138.05
IUPAC Name1-trihydroxysilylethane-1,1-diamine
SMILESCC(N)(N)[Si](O)(O)O
InChIInChI=1S/C2H10N2O3Si/c1-2(3,4)8(5,6)7/h5-7H,3-4H2,1H3
InChIKeyDMVGXCYJHSLPAU-UHFFFAOYSA-N
XLogP-2.92
TPSA112.73 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.20
LogP ≤ 5-2.92
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

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1-amino-1-bromoethanol
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1-amino-1-sulfanylethanol
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ethane;2-methylpropan-2-amine
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methanamine;silicic acid
CID 87568735
CID 175795972
CID 175795972
tetrakis(2,2-dimethylpropane);bis(2-methylpropan-2-amine)
CID 159299187
bis(2-methylpropan-2-amine);dihydrochloride
CID 175186319
2-methylbutan-2-amine;propane
CID 91035545
2-methylbutan-2-amine;hydrate
CID 173000674

Frequently Asked Questions

What is the IUPAC name of 1-trihydroxysilylethane-1,1-diamine?
The IUPAC name of 1-trihydroxysilylethane-1,1-diamine (CID 87685375) is 1-trihydroxysilylethane-1,1-diamine.
What is the SMILES notation for 1-trihydroxysilylethane-1,1-diamine?
The canonical SMILES for 1-trihydroxysilylethane-1,1-diamine is CC(N)(N)[Si](O)(O)O.
What is the InChIKey of 1-trihydroxysilylethane-1,1-diamine?
The InChIKey is DMVGXCYJHSLPAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H10N2O3Si/c1-2(3,4)8(5,6)7/h5-7H,3-4H2,1H3.
What are the key properties of 1-trihydroxysilylethane-1,1-diamine?
1-trihydroxysilylethane-1,1-diamine has a molecular weight of 138.20 g/mol, XLogP of -2.92, 1 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-trihydroxysilylethane-1,1-diamine is sourced from PubChem (CID 87685375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).