ethane;3-(2-methoxyethyl)-8-methyl-3,8-diazabicyclo[3.2.1]octane

C14H32N2O — CID 176961318

IUPACethane;3-(2-methoxyethyl)-8-methyl-3,8-diazabicyclo[3.2.1]octane
SMILESCC.CC.COCCN1CC2CCC(C1)N2C
InChIInChI=1S/C10H20N2O.2C2H6/c1-11-9-3-4-10(11)8-12(7-9)5-6-13-2;2*1-2/h9-10H,3-8H2,1-2H3;2*1-2H3
InChIKeyGROXQWPGBNPUQR-UHFFFAOYSA-N
MW244.42 g/mol
LogP2.46
Rot. Bonds3

About ethane;3-(2-methoxyethyl)-8-methyl-3,8-diazabicyclo[3.2.1]octane

ethane;3-(2-methoxyethyl)-8-methyl-3,8-diazabicyclo[3.2.1]octane (PubChem CID 176961318) has the molecular formula C14H32N2O and a molecular weight of 244.42 g/mol. Its IUPAC name is ethane;3-(2-methoxyethyl)-8-methyl-3,8-diazabicyclo[3.2.1]octane.

Molecular Properties

Compound Nameethane;3-(2-methoxyethyl)-8-methyl-3,8-diazabicyclo[3.2.1]octane
PubChem CID176961318
Molecular FormulaC14H32N2O
Molecular Weight244.42 g/mol
Exact Mass244.25
IUPAC Nameethane;3-(2-methoxyethyl)-8-methyl-3,8-diazabicyclo[3.2.1]octane
SMILESCC.CC.COCCN1CC2CCC(C1)N2C
InChIInChI=1S/C10H20N2O.2C2H6/c1-11-9-3-4-10(11)8-12(7-9)5-6-13-2;2*1-2/h9-10H,3-8H2,1-2H3;2*1-2H3
InChIKeyGROXQWPGBNPUQR-UHFFFAOYSA-N
XLogP2.46
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.42
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethane;3-(2-methoxyethyl)-8-methyl-3,8-diazabicyclo[3.2.1]octane?
The IUPAC name of ethane;3-(2-methoxyethyl)-8-methyl-3,8-diazabicyclo[3.2.1]octane (CID 176961318) is ethane;3-(2-methoxyethyl)-8-methyl-3,8-diazabicyclo[3.2.1]octane.
What is the SMILES notation for ethane;3-(2-methoxyethyl)-8-methyl-3,8-diazabicyclo[3.2.1]octane?
The canonical SMILES for ethane;3-(2-methoxyethyl)-8-methyl-3,8-diazabicyclo[3.2.1]octane is CC.CC.COCCN1CC2CCC(C1)N2C.
What is the InChIKey of ethane;3-(2-methoxyethyl)-8-methyl-3,8-diazabicyclo[3.2.1]octane?
The InChIKey is GROXQWPGBNPUQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O.2C2H6/c1-11-9-3-4-10(11)8-12(7-9)5-6-13-2;2*1-2/h9-10H,3-8H2,1-2H3;2*1-2H3.
What are the key properties of ethane;3-(2-methoxyethyl)-8-methyl-3,8-diazabicyclo[3.2.1]octane?
ethane;3-(2-methoxyethyl)-8-methyl-3,8-diazabicyclo[3.2.1]octane has a molecular weight of 244.42 g/mol, XLogP of 2.46, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-(2-methoxyethyl)-8-methyl-3,8-diazabicyclo[3.2.1]octane is sourced from PubChem (CID 176961318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).