3-methyl-8-azabicyclo[3.2.1]octane;hydrochloride

C8H16ClN — CID 67505806

IUPAC3-methyl-8-azabicyclo[3.2.1]octane;hydrochloride
SMILESCC1CC2CCC(C1)N2.Cl
InChIInChI=1S/C8H15N.ClH/c1-6-4-7-2-3-8(5-6)9-7;/h6-9H,2-5H2,1H3;1H
InChIKeyLDLVQLFEXFBTEO-UHFFFAOYSA-N
MW161.68 g/mol
LogP1.96
Rot. Bonds

About 3-methyl-8-azabicyclo[3.2.1]octane;hydrochloride

3-methyl-8-azabicyclo[3.2.1]octane;hydrochloride (PubChem CID 67505806) has the molecular formula C8H16ClN and a molecular weight of 161.68 g/mol. Its IUPAC name is 3-methyl-8-azabicyclo[3.2.1]octane;hydrochloride.

Molecular Properties

Compound Name3-methyl-8-azabicyclo[3.2.1]octane;hydrochloride
PubChem CID67505806
Molecular FormulaC8H16ClN
Molecular Weight161.68 g/mol
Exact Mass161.10
IUPAC Name3-methyl-8-azabicyclo[3.2.1]octane;hydrochloride
SMILESCC1CC2CCC(C1)N2.Cl
InChIInChI=1S/C8H15N.ClH/c1-6-4-7-2-3-8(5-6)9-7;/h6-9H,2-5H2,1H3;1H
InChIKeyLDLVQLFEXFBTEO-UHFFFAOYSA-N
XLogP1.96
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.68
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-8-azabicyclo[3.2.1]octane;hydrochloride?
The IUPAC name of 3-methyl-8-azabicyclo[3.2.1]octane;hydrochloride (CID 67505806) is 3-methyl-8-azabicyclo[3.2.1]octane;hydrochloride.
What is the SMILES notation for 3-methyl-8-azabicyclo[3.2.1]octane;hydrochloride?
The canonical SMILES for 3-methyl-8-azabicyclo[3.2.1]octane;hydrochloride is CC1CC2CCC(C1)N2.Cl.
What is the InChIKey of 3-methyl-8-azabicyclo[3.2.1]octane;hydrochloride?
The InChIKey is LDLVQLFEXFBTEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N.ClH/c1-6-4-7-2-3-8(5-6)9-7;/h6-9H,2-5H2,1H3;1H.
What are the key properties of 3-methyl-8-azabicyclo[3.2.1]octane;hydrochloride?
3-methyl-8-azabicyclo[3.2.1]octane;hydrochloride has a molecular weight of 161.68 g/mol, XLogP of 1.96, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-8-azabicyclo[3.2.1]octane;hydrochloride is sourced from PubChem (CID 67505806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).