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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Related Compounds

1-cyclopropyl-4-(2-methoxyethyl)piperazine
CID 153207861
(2S,6R)-4-(2-methoxyethyl)-2,6-dimethylmorpholine
CID 89016342
(1R,5S)-8-methyl-3-pentyl-3,8-diazabicyclo[3.2.1]octane
CID 156795020
2-(2-methoxyethyl)-6-(propan-2-yloxymethyl)-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 176568407
3-heptyl-8-methyl-3,8-diazabicyclo[3.2.1]octane
CID 165145974
S-[1-(2-methoxyethyl)azetidin-3-yl]thiohydroxylamine
CID 137403081
tert-butyl 3-(2-methoxyethyl)-3,6-diazabicyclo[3.1.1]heptane-6-carboxylate
CID 169121568
1,3,5-tris(2-methoxyethyl)-1,3,5-triazinane
CID 57077875
(3R,4R)-1-(2-methoxyethyl)-3-methylpiperidin-4-ol
CID 129445729
ethane;1-(2-methoxyethyl)-4-methylpiperazine;methylcyclopropane
CID 144800701
ethane;4-ethyl-1-(2-methoxyethyl)piperidine
CID 177021605
[1-[2-(3-methoxypropoxy)ethyl]azetidin-3-yl]methanamine
CID 103184107

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).