3-(2-methylpropyl)-8-azabicyclo[3.2.1]octane;hydrochloride

C11H22ClN — CID 126845696

IUPAC3-(2-methylpropyl)-8-azabicyclo[3.2.1]octane;hydrochloride
SMILESCC(C)CC1CC2CCC(C1)N2.Cl
InChIInChI=1S/C11H21N.ClH/c1-8(2)5-9-6-10-3-4-11(7-9)12-10;/h8-12H,3-7H2,1-2H3;1H
InChIKeyFADCTBMFSKDTKV-UHFFFAOYSA-N
MW203.76 g/mol
LogP2.98
Rot. Bonds2

About 3-(2-methylpropyl)-8-azabicyclo[3.2.1]octane;hydrochloride

3-(2-methylpropyl)-8-azabicyclo[3.2.1]octane;hydrochloride (PubChem CID 126845696) has the molecular formula C11H22ClN and a molecular weight of 203.76 g/mol. Its IUPAC name is 3-(2-methylpropyl)-8-azabicyclo[3.2.1]octane;hydrochloride.

Molecular Properties

Compound Name3-(2-methylpropyl)-8-azabicyclo[3.2.1]octane;hydrochloride
PubChem CID126845696
Molecular FormulaC11H22ClN
Molecular Weight203.76 g/mol
Exact Mass203.14
IUPAC Name3-(2-methylpropyl)-8-azabicyclo[3.2.1]octane;hydrochloride
SMILESCC(C)CC1CC2CCC(C1)N2.Cl
InChIInChI=1S/C11H21N.ClH/c1-8(2)5-9-6-10-3-4-11(7-9)12-10;/h8-12H,3-7H2,1-2H3;1H
InChIKeyFADCTBMFSKDTKV-UHFFFAOYSA-N
XLogP2.98
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.76
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3-(2-methylpropyl)-8-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-butan-2-yl-8-azabicyclo[3.2.1]octane;hydrochloride
CID 126845861
2-(8-azabicyclo[3.2.1]octan-3-yl)-1-[3-(2-methylpropyl)piperidin-1-yl]ethanone;hydrochloride
CID 119807830
3-butan-2-yl-8-azabicyclo[3.2.1]octane
CID 89423739
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(5-methylhexan-2-yl)acetamide;hydrochloride
CID 119674904
3-(2-methylpropylsulfanyl)-8-azabicyclo[3.2.1]octane
CID 71778002
1-[(5S)-8-azabicyclo[3.2.1]octan-3-yl]-N-methylmethanamine
CID 89398991
2-(8-azabicyclo[3.2.1]octan-3-yl)-1-[3-(2-methylpropyl)morpholin-4-yl]ethanone;hydrochloride
CID 119782067
31,32,33,34,35,36-hexazaheptacyclo[26.2.1.13,6.18,11.113,16.118,21.123,26]hexatriacontane
CID 90736283
3-[3-(2-methylpropyl)cyclohexyl]-3,9-diazabicyclo[4.2.1]nonane
CID 107429445
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-cyclopentyl-N-(2-methylpropyl)acetamide;hydrochloride
CID 119729654
3-butyl-8-azabicyclo[3.2.1]octane
CID 68907966
(5S)-8-cyclopropyl-3-(2-methylpropyl)-8-azabicyclo[3.2.1]octane
CID 170928344

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpropyl)-8-azabicyclo[3.2.1]octane;hydrochloride?
The IUPAC name of 3-(2-methylpropyl)-8-azabicyclo[3.2.1]octane;hydrochloride (CID 126845696) is 3-(2-methylpropyl)-8-azabicyclo[3.2.1]octane;hydrochloride.
What is the SMILES notation for 3-(2-methylpropyl)-8-azabicyclo[3.2.1]octane;hydrochloride?
The canonical SMILES for 3-(2-methylpropyl)-8-azabicyclo[3.2.1]octane;hydrochloride is CC(C)CC1CC2CCC(C1)N2.Cl.
What is the InChIKey of 3-(2-methylpropyl)-8-azabicyclo[3.2.1]octane;hydrochloride?
The InChIKey is FADCTBMFSKDTKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N.ClH/c1-8(2)5-9-6-10-3-4-11(7-9)12-10;/h8-12H,3-7H2,1-2H3;1H.
What are the key properties of 3-(2-methylpropyl)-8-azabicyclo[3.2.1]octane;hydrochloride?
3-(2-methylpropyl)-8-azabicyclo[3.2.1]octane;hydrochloride has a molecular weight of 203.76 g/mol, XLogP of 2.98, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpropyl)-8-azabicyclo[3.2.1]octane;hydrochloride is sourced from PubChem (CID 126845696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).