1-N'-[1-[diethoxy(methyl)silyl]oxyethyl]ethane-1,1-diamine

C9H24N2O3Si — CID 87142531

IUPAC1-N'-[1-[diethoxy(methyl)silyl]oxyethyl]ethane-1,1-diamine
SMILESCCO[Si](C)(OCC)OC(C)NC(C)N
InChIInChI=1S/C9H24N2O3Si/c1-6-12-15(5,13-7-2)14-9(4)11-8(3)10/h8-9,11H,6-7,10H2,1-5H3
InChIKeyVCFOTPKGTHSHDG-UHFFFAOYSA-N
MW236.39 g/mol
LogP0.88
Rot. Bonds8

About 1-N'-[1-[diethoxy(methyl)silyl]oxyethyl]ethane-1,1-diamine

1-N'-[1-[diethoxy(methyl)silyl]oxyethyl]ethane-1,1-diamine (PubChem CID 87142531) has the molecular formula C9H24N2O3Si and a molecular weight of 236.39 g/mol. Its IUPAC name is 1-N'-[1-[diethoxy(methyl)silyl]oxyethyl]ethane-1,1-diamine.

Molecular Properties

Compound Name1-N'-[1-[diethoxy(methyl)silyl]oxyethyl]ethane-1,1-diamine
PubChem CID87142531
Molecular FormulaC9H24N2O3Si
Molecular Weight236.39 g/mol
Exact Mass236.16
IUPAC Name1-N'-[1-[diethoxy(methyl)silyl]oxyethyl]ethane-1,1-diamine
SMILESCCO[Si](C)(OCC)OC(C)NC(C)N
InChIInChI=1S/C9H24N2O3Si/c1-6-12-15(5,13-7-2)14-9(4)11-8(3)10/h8-9,11H,6-7,10H2,1-5H3
InChIKeyVCFOTPKGTHSHDG-UHFFFAOYSA-N
XLogP0.88
TPSA65.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.39
LogP ≤ 50.88
H-Bond Donors ≤ 52
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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Frequently Asked Questions

What is the IUPAC name of 1-N'-[1-[diethoxy(methyl)silyl]oxyethyl]ethane-1,1-diamine?
The IUPAC name of 1-N'-[1-[diethoxy(methyl)silyl]oxyethyl]ethane-1,1-diamine (CID 87142531) is 1-N'-[1-[diethoxy(methyl)silyl]oxyethyl]ethane-1,1-diamine.
What is the SMILES notation for 1-N'-[1-[diethoxy(methyl)silyl]oxyethyl]ethane-1,1-diamine?
The canonical SMILES for 1-N'-[1-[diethoxy(methyl)silyl]oxyethyl]ethane-1,1-diamine is CCO[Si](C)(OCC)OC(C)NC(C)N.
What is the InChIKey of 1-N'-[1-[diethoxy(methyl)silyl]oxyethyl]ethane-1,1-diamine?
The InChIKey is VCFOTPKGTHSHDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H24N2O3Si/c1-6-12-15(5,13-7-2)14-9(4)11-8(3)10/h8-9,11H,6-7,10H2,1-5H3.
What are the key properties of 1-N'-[1-[diethoxy(methyl)silyl]oxyethyl]ethane-1,1-diamine?
1-N'-[1-[diethoxy(methyl)silyl]oxyethyl]ethane-1,1-diamine has a molecular weight of 236.39 g/mol, XLogP of 0.88, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-[1-[diethoxy(methyl)silyl]oxyethyl]ethane-1,1-diamine is sourced from PubChem (CID 87142531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).