3-butan-2-yl-8-azabicyclo[3.2.1]octane;hydrochloride

C11H22ClN — CID 126845861

IUPAC3-butan-2-yl-8-azabicyclo[3.2.1]octane;hydrochloride
SMILESCCC(C)C1CC2CCC(C1)N2.Cl
InChIInChI=1S/C11H21N.ClH/c1-3-8(2)9-6-10-4-5-11(7-9)12-10;/h8-12H,3-7H2,1-2H3;1H
InChIKeyVDXSUSBGMWQYRH-UHFFFAOYSA-N
MW203.76 g/mol
LogP2.98
Rot. Bonds2

About 3-butan-2-yl-8-azabicyclo[3.2.1]octane;hydrochloride

3-butan-2-yl-8-azabicyclo[3.2.1]octane;hydrochloride (PubChem CID 126845861) has the molecular formula C11H22ClN and a molecular weight of 203.76 g/mol. Its IUPAC name is 3-butan-2-yl-8-azabicyclo[3.2.1]octane;hydrochloride.

Molecular Properties

Compound Name3-butan-2-yl-8-azabicyclo[3.2.1]octane;hydrochloride
PubChem CID126845861
Molecular FormulaC11H22ClN
Molecular Weight203.76 g/mol
Exact Mass203.14
IUPAC Name3-butan-2-yl-8-azabicyclo[3.2.1]octane;hydrochloride
SMILESCCC(C)C1CC2CCC(C1)N2.Cl
InChIInChI=1S/C11H21N.ClH/c1-3-8(2)9-6-10-4-5-11(7-9)12-10;/h8-12H,3-7H2,1-2H3;1H
InChIKeyVDXSUSBGMWQYRH-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

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Frequently Asked Questions

What is the IUPAC name of 3-butan-2-yl-8-azabicyclo[3.2.1]octane;hydrochloride?
The IUPAC name of 3-butan-2-yl-8-azabicyclo[3.2.1]octane;hydrochloride (CID 126845861) is 3-butan-2-yl-8-azabicyclo[3.2.1]octane;hydrochloride.
What is the SMILES notation for 3-butan-2-yl-8-azabicyclo[3.2.1]octane;hydrochloride?
The canonical SMILES for 3-butan-2-yl-8-azabicyclo[3.2.1]octane;hydrochloride is CCC(C)C1CC2CCC(C1)N2.Cl.
What is the InChIKey of 3-butan-2-yl-8-azabicyclo[3.2.1]octane;hydrochloride?
The InChIKey is VDXSUSBGMWQYRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N.ClH/c1-3-8(2)9-6-10-4-5-11(7-9)12-10;/h8-12H,3-7H2,1-2H3;1H.
What are the key properties of 3-butan-2-yl-8-azabicyclo[3.2.1]octane;hydrochloride?
3-butan-2-yl-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-butan-2-yl-8-azabicyclo[3.2.1]octane;hydrochloride is sourced from PubChem (CID 126845861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).