2-azabicyclo[3.2.1]octane;hydrochloride

C7H14ClN — CID 139022794

IUPAC2-azabicyclo[3.2.1]octane;hydrochloride
SMILESC1CC2CCC(C2)N1.Cl
InChIInChI=1S/C7H13N.ClH/c1-2-7-5-6(1)3-4-8-7;/h6-8H,1-5H2;1H
InChIKeyRWEWCCOKDMZBBE-UHFFFAOYSA-N
MW147.65 g/mol
LogP1.57
Rot. Bonds

About 2-azabicyclo[3.2.1]octane;hydrochloride

2-azabicyclo[3.2.1]octane;hydrochloride (PubChem CID 139022794) has the molecular formula C7H14ClN and a molecular weight of 147.65 g/mol. Its IUPAC name is 2-azabicyclo[3.2.1]octane;hydrochloride.

Molecular Properties

Compound Name2-azabicyclo[3.2.1]octane;hydrochloride
PubChem CID139022794
Molecular FormulaC7H14ClN
Molecular Weight147.65 g/mol
Exact Mass147.08
IUPAC Name2-azabicyclo[3.2.1]octane;hydrochloride
SMILESC1CC2CCC(C2)N1.Cl
InChIInChI=1S/C7H13N.ClH/c1-2-7-5-6(1)3-4-8-7;/h6-8H,1-5H2;1H
InChIKeyRWEWCCOKDMZBBE-UHFFFAOYSA-N
XLogP1.57
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.65
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-azabicyclo[3.2.1]octane;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-Azabicyclo(3.2.1)octane
CID 12313490
2-Azabicyclo(3.2.1)octane
CID 12471321
2-Azabicyclo[2.2.1]heptane hydrochloride
CID 20070801
(1S,4R)-2-azabicyclo[2.2.1]heptane hydrochloride
CID 13078200
3-Azabicyclo[3.2.1]octane hydrochloride
CID 22923661
(1R,4S)-2-azabicyclo(2.2.1)heptane hydrochloride
CID 122163564
(1R,3R,4S)-3-methyl-2-azabicyclo[2.2.1]heptane hydrochloride
CID 177800839
(1S,5R)-2-azabicyclo[3.2.1]octane
CID 98594438
rac-(1R,5S)-3-azabicyclo[3.2.1]octane
CID 51899493
r-2-Azabicyclo[2.2.1]heptan-2-ium chloride
CID 171919322
6-Fluoro-2-azabicyclo[3.2.1]octane
CID 105427438
6,6-Difluoro-2-azabicyclo[3.2.1]octane
CID 105429018

Frequently Asked Questions

What is the IUPAC name of 2-azabicyclo[3.2.1]octane;hydrochloride?
The IUPAC name of 2-azabicyclo[3.2.1]octane;hydrochloride (CID 139022794) is 2-azabicyclo[3.2.1]octane;hydrochloride.
What is the SMILES notation for 2-azabicyclo[3.2.1]octane;hydrochloride?
The canonical SMILES for 2-azabicyclo[3.2.1]octane;hydrochloride is C1CC2CCC(C2)N1.Cl.
What is the InChIKey of 2-azabicyclo[3.2.1]octane;hydrochloride?
The InChIKey is RWEWCCOKDMZBBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N.ClH/c1-2-7-5-6(1)3-4-8-7;/h6-8H,1-5H2;1H.
What are the key properties of 2-azabicyclo[3.2.1]octane;hydrochloride?
2-azabicyclo[3.2.1]octane;hydrochloride has a molecular weight of 147.65 g/mol, XLogP of 1.57, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azabicyclo[3.2.1]octane;hydrochloride is sourced from PubChem (CID 139022794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).