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

C9H16ClN — CID 67877656

IUPAC8-methyl-3-methylidene-8-azabicyclo[3.2.1]octane;hydrochloride
SMILESC=C1CC2CCC(C1)N2C.Cl
InChIInChI=1S/C9H15N.ClH/c1-7-5-8-3-4-9(6-7)10(8)2;/h8-9H,1,3-6H2,2H3;1H
InChIKeyUQDJNSPGYAGZKW-UHFFFAOYSA-N
MW173.69 g/mol
LogP2.22
Rot. Bonds

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

8-methyl-3-methylidene-8-azabicyclo[3.2.1]octane;hydrochloride (PubChem CID 67877656) has the molecular formula C9H16ClN and a molecular weight of 173.69 g/mol. Its IUPAC name is 8-methyl-3-methylidene-8-azabicyclo[3.2.1]octane;hydrochloride.

Molecular Properties

Compound Name8-methyl-3-methylidene-8-azabicyclo[3.2.1]octane;hydrochloride
PubChem CID67877656
Molecular FormulaC9H16ClN
Molecular Weight173.69 g/mol
Exact Mass173.10
IUPAC Name8-methyl-3-methylidene-8-azabicyclo[3.2.1]octane;hydrochloride
SMILESC=C1CC2CCC(C1)N2C.Cl
InChIInChI=1S/C9H15N.ClH/c1-7-5-8-3-4-9(6-7)10(8)2;/h8-9H,1,3-6H2,2H3;1H
InChIKeyUQDJNSPGYAGZKW-UHFFFAOYSA-N
XLogP2.22
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.69
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-3-methylidene-8-azabicyclo[3.2.1]octane;hydrochloride?
The IUPAC name of 8-methyl-3-methylidene-8-azabicyclo[3.2.1]octane;hydrochloride (CID 67877656) is 8-methyl-3-methylidene-8-azabicyclo[3.2.1]octane;hydrochloride.
What is the SMILES notation for 8-methyl-3-methylidene-8-azabicyclo[3.2.1]octane;hydrochloride?
The canonical SMILES for 8-methyl-3-methylidene-8-azabicyclo[3.2.1]octane;hydrochloride is C=C1CC2CCC(C1)N2C.Cl.
What is the InChIKey of 8-methyl-3-methylidene-8-azabicyclo[3.2.1]octane;hydrochloride?
The InChIKey is UQDJNSPGYAGZKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N.ClH/c1-7-5-8-3-4-9(6-7)10(8)2;/h8-9H,1,3-6H2,2H3;1H.
What are the key properties of 8-methyl-3-methylidene-8-azabicyclo[3.2.1]octane;hydrochloride?
8-methyl-3-methylidene-8-azabicyclo[3.2.1]octane;hydrochloride has a molecular weight of 173.69 g/mol, XLogP of 2.22, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-3-methylidene-8-azabicyclo[3.2.1]octane;hydrochloride is sourced from PubChem (CID 67877656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).