1-N'-ethyl-2-methyl-1-(oxasilinan-2-yloxy)propane-1,1-diamine

C10H24N2O2Si — CID 173151852

IUPAC1-N'-ethyl-2-methyl-1-(oxasilinan-2-yloxy)propane-1,1-diamine
SMILESCCNC(N)(O[SiH]1CCCCO1)C(C)C
InChIInChI=1S/C10H24N2O2Si/c1-4-12-10(11,9(2)3)14-15-8-6-5-7-13-15/h9,12,15H,4-8,11H2,1-3H3
InChIKeyOAIJJVRQOAAWBL-UHFFFAOYSA-N
MW232.40 g/mol
LogP0.91
Rot. Bonds5

About 1-N'-ethyl-2-methyl-1-(oxasilinan-2-yloxy)propane-1,1-diamine

1-N'-ethyl-2-methyl-1-(oxasilinan-2-yloxy)propane-1,1-diamine (PubChem CID 173151852) has the molecular formula C10H24N2O2Si and a molecular weight of 232.40 g/mol. Its IUPAC name is 1-N'-ethyl-2-methyl-1-(oxasilinan-2-yloxy)propane-1,1-diamine.

Molecular Properties

Compound Name1-N'-ethyl-2-methyl-1-(oxasilinan-2-yloxy)propane-1,1-diamine
PubChem CID173151852
Molecular FormulaC10H24N2O2Si
Molecular Weight232.40 g/mol
Exact Mass232.16
IUPAC Name1-N'-ethyl-2-methyl-1-(oxasilinan-2-yloxy)propane-1,1-diamine
SMILESCCNC(N)(O[SiH]1CCCCO1)C(C)C
InChIInChI=1S/C10H24N2O2Si/c1-4-12-10(11,9(2)3)14-15-8-6-5-7-13-15/h9,12,15H,4-8,11H2,1-3H3
InChIKeyOAIJJVRQOAAWBL-UHFFFAOYSA-N
XLogP0.91
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.40
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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'-ethyl-2-methyl-1-(oxasilinan-2-yloxy)propane-1,1-diamine?
The IUPAC name of 1-N'-ethyl-2-methyl-1-(oxasilinan-2-yloxy)propane-1,1-diamine (CID 173151852) is 1-N'-ethyl-2-methyl-1-(oxasilinan-2-yloxy)propane-1,1-diamine.
What is the SMILES notation for 1-N'-ethyl-2-methyl-1-(oxasilinan-2-yloxy)propane-1,1-diamine?
The canonical SMILES for 1-N'-ethyl-2-methyl-1-(oxasilinan-2-yloxy)propane-1,1-diamine is CCNC(N)(O[SiH]1CCCCO1)C(C)C.
What is the InChIKey of 1-N'-ethyl-2-methyl-1-(oxasilinan-2-yloxy)propane-1,1-diamine?
The InChIKey is OAIJJVRQOAAWBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H24N2O2Si/c1-4-12-10(11,9(2)3)14-15-8-6-5-7-13-15/h9,12,15H,4-8,11H2,1-3H3.
What are the key properties of 1-N'-ethyl-2-methyl-1-(oxasilinan-2-yloxy)propane-1,1-diamine?
1-N'-ethyl-2-methyl-1-(oxasilinan-2-yloxy)propane-1,1-diamine has a molecular weight of 232.40 g/mol, XLogP of 0.91, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-ethyl-2-methyl-1-(oxasilinan-2-yloxy)propane-1,1-diamine is sourced from PubChem (CID 173151852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).