ethane;3-methyl-3,8-diazabicyclo[3.2.1]octane

C11H26N2 — CID 156708920

IUPACethane;3-methyl-3,8-diazabicyclo[3.2.1]octane
SMILESCC.CC.CN1CC2CCC(C1)N2
InChIInChI=1S/C7H14N2.2C2H6/c1-9-4-6-2-3-7(5-9)8-6;2*1-2/h6-8H,2-5H2,1H3;2*1-2H3
InChIKeyGWAUTWAUACPWQG-UHFFFAOYSA-N
MW186.34 g/mol
LogP2.10
Rot. Bonds

About ethane;3-methyl-3,8-diazabicyclo[3.2.1]octane

ethane;3-methyl-3,8-diazabicyclo[3.2.1]octane (PubChem CID 156708920) has the molecular formula C11H26N2 and a molecular weight of 186.34 g/mol. Its IUPAC name is ethane;3-methyl-3,8-diazabicyclo[3.2.1]octane.

Molecular Properties

Compound Nameethane;3-methyl-3,8-diazabicyclo[3.2.1]octane
PubChem CID156708920
Molecular FormulaC11H26N2
Molecular Weight186.34 g/mol
Exact Mass186.21
IUPAC Nameethane;3-methyl-3,8-diazabicyclo[3.2.1]octane
SMILESCC.CC.CN1CC2CCC(C1)N2
InChIInChI=1S/C7H14N2.2C2H6/c1-9-4-6-2-3-7(5-9)8-6;2*1-2/h6-8H,2-5H2,1H3;2*1-2H3
InChIKeyGWAUTWAUACPWQG-UHFFFAOYSA-N
XLogP2.10
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.34
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;3-methyl-3,8-diazabicyclo[3.2.1]octane?
The IUPAC name of ethane;3-methyl-3,8-diazabicyclo[3.2.1]octane (CID 156708920) is ethane;3-methyl-3,8-diazabicyclo[3.2.1]octane.
What is the SMILES notation for ethane;3-methyl-3,8-diazabicyclo[3.2.1]octane?
The canonical SMILES for ethane;3-methyl-3,8-diazabicyclo[3.2.1]octane is CC.CC.CN1CC2CCC(C1)N2.
What is the InChIKey of ethane;3-methyl-3,8-diazabicyclo[3.2.1]octane?
The InChIKey is GWAUTWAUACPWQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2.2C2H6/c1-9-4-6-2-3-7(5-9)8-6;2*1-2/h6-8H,2-5H2,1H3;2*1-2H3.
What are the key properties of ethane;3-methyl-3,8-diazabicyclo[3.2.1]octane?
ethane;3-methyl-3,8-diazabicyclo[3.2.1]octane has a molecular weight of 186.34 g/mol, XLogP of 2.10, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-methyl-3,8-diazabicyclo[3.2.1]octane is sourced from PubChem (CID 156708920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).