8-methyl-8-azabicyclo[3.2.1]octane-1-carboxamide;dihydrochloride

C9H18Cl2N2O — CID 173494187

IUPAC8-methyl-8-azabicyclo[3.2.1]octane-1-carboxamide;dihydrochloride
SMILESCN1C2CCCC1(C(N)=O)CC2.Cl.Cl
InChIInChI=1S/C9H16N2O.2ClH/c1-11-7-3-2-5-9(11,6-4-7)8(10)12;;/h7H,2-6H2,1H3,(H2,10,12);2*1H
InChIKeyHWVPTVKCWBQZDT-UHFFFAOYSA-N
MW241.16 g/mol
LogP1.33
Rot. Bonds1

About 8-methyl-8-azabicyclo[3.2.1]octane-1-carboxamide;dihydrochloride

8-methyl-8-azabicyclo[3.2.1]octane-1-carboxamide;dihydrochloride (PubChem CID 173494187) has the molecular formula C9H18Cl2N2O and a molecular weight of 241.16 g/mol. Its IUPAC name is 8-methyl-8-azabicyclo[3.2.1]octane-1-carboxamide;dihydrochloride.

Molecular Properties

Compound Name8-methyl-8-azabicyclo[3.2.1]octane-1-carboxamide;dihydrochloride
PubChem CID173494187
Molecular FormulaC9H18Cl2N2O
Molecular Weight241.16 g/mol
Exact Mass240.08
IUPAC Name8-methyl-8-azabicyclo[3.2.1]octane-1-carboxamide;dihydrochloride
SMILESCN1C2CCCC1(C(N)=O)CC2.Cl.Cl
InChIInChI=1S/C9H16N2O.2ClH/c1-11-7-3-2-5-9(11,6-4-7)8(10)12;;/h7H,2-6H2,1H3,(H2,10,12);2*1H
InChIKeyHWVPTVKCWBQZDT-UHFFFAOYSA-N
XLogP1.33
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.16
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-8-azabicyclo[3.2.1]octane-1-carboxamide;dihydrochloride?
The IUPAC name of 8-methyl-8-azabicyclo[3.2.1]octane-1-carboxamide;dihydrochloride (CID 173494187) is 8-methyl-8-azabicyclo[3.2.1]octane-1-carboxamide;dihydrochloride.
What is the SMILES notation for 8-methyl-8-azabicyclo[3.2.1]octane-1-carboxamide;dihydrochloride?
The canonical SMILES for 8-methyl-8-azabicyclo[3.2.1]octane-1-carboxamide;dihydrochloride is CN1C2CCCC1(C(N)=O)CC2.Cl.Cl.
What is the InChIKey of 8-methyl-8-azabicyclo[3.2.1]octane-1-carboxamide;dihydrochloride?
The InChIKey is HWVPTVKCWBQZDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O.2ClH/c1-11-7-3-2-5-9(11,6-4-7)8(10)12;;/h7H,2-6H2,1H3,(H2,10,12);2*1H.
What are the key properties of 8-methyl-8-azabicyclo[3.2.1]octane-1-carboxamide;dihydrochloride?
8-methyl-8-azabicyclo[3.2.1]octane-1-carboxamide;dihydrochloride has a molecular weight of 241.16 g/mol, XLogP of 1.33, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-8-azabicyclo[3.2.1]octane-1-carboxamide;dihydrochloride is sourced from PubChem (CID 173494187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).