(1S,4R,6R)-6-methyl-2-azabicyclo[2.2.1]heptan-6-ol;hydrochloride

C7H14ClNO — CID 155859082

IUPAC(1S,4R,6R)-6-methyl-2-azabicyclo[2.2.1]heptan-6-ol;hydrochloride
SMILESC[C@@]1(O)C[C@@H]2CN[C@H]1C2.Cl
InChIInChI=1S/C7H13NO.ClH/c1-7(9)3-5-2-6(7)8-4-5;/h5-6,8-9H,2-4H2,1H3;1H/t5-,6+,7-;/m1./s1
InChIKeyMDQKLUYUUUXREQ-FNCXLRSCSA-N
MW163.65 g/mol
LogP0.54
Rot. Bonds

About (1S,4R,6R)-6-methyl-2-azabicyclo[2.2.1]heptan-6-ol;hydrochloride

(1S,4R,6R)-6-methyl-2-azabicyclo[2.2.1]heptan-6-ol;hydrochloride (PubChem CID 155859082) has the molecular formula C7H14ClNO and a molecular weight of 163.65 g/mol. Its IUPAC name is (1S,4R,6R)-6-methyl-2-azabicyclo[2.2.1]heptan-6-ol;hydrochloride.

Molecular Properties

Compound Name(1S,4R,6R)-6-methyl-2-azabicyclo[2.2.1]heptan-6-ol;hydrochloride
PubChem CID155859082
Molecular FormulaC7H14ClNO
Molecular Weight163.65 g/mol
Exact Mass163.08
IUPAC Name(1S,4R,6R)-6-methyl-2-azabicyclo[2.2.1]heptan-6-ol;hydrochloride
SMILESC[C@@]1(O)C[C@@H]2CN[C@H]1C2.Cl
InChIInChI=1S/C7H13NO.ClH/c1-7(9)3-5-2-6(7)8-4-5;/h5-6,8-9H,2-4H2,1H3;1H/t5-,6+,7-;/m1./s1
InChIKeyMDQKLUYUUUXREQ-FNCXLRSCSA-N
XLogP0.54
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.65
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(1S,4R)-2-methylbicyclo[2.2.1]heptan-2-ol
CID 134981260
(2R)-2-methylbicyclo[2.2.2]octan-2-ol
CID 13329636
6-azatetracyclo[6.3.1.03,10.05,10]dodecane
CID 163941140
2-(1-adamantyl)aziridine
CID 118589870
(2S,5S)-2,5-dimethylbicyclo[3.1.0]hexan-2-ol
CID 130436896
(4S)-4-methyltricyclo[4.3.1.03,8]decan-4-ol
CID 135037653
(3S)-2,3-dimethylazetidin-3-ol
CID 171036474
2,2-dimethyladamantane-1,3-diol
CID 141116572
2-(1-methylcycloheptyl)aziridine
CID 157088948
1,2,3-trimethyladamantan-2-ol
CID 139814607
adamantane;1-methyladamantane
CID 53425859
(3R,5S)-1-methyl-4-methylideneadamantane
CID 10034924

Frequently Asked Questions

What is the IUPAC name of (1S,4R,6R)-6-methyl-2-azabicyclo[2.2.1]heptan-6-ol;hydrochloride?
The IUPAC name of (1S,4R,6R)-6-methyl-2-azabicyclo[2.2.1]heptan-6-ol;hydrochloride (CID 155859082) is (1S,4R,6R)-6-methyl-2-azabicyclo[2.2.1]heptan-6-ol;hydrochloride.
What is the SMILES notation for (1S,4R,6R)-6-methyl-2-azabicyclo[2.2.1]heptan-6-ol;hydrochloride?
The canonical SMILES for (1S,4R,6R)-6-methyl-2-azabicyclo[2.2.1]heptan-6-ol;hydrochloride is C[C@@]1(O)C[C@@H]2CN[C@H]1C2.Cl.
What is the InChIKey of (1S,4R,6R)-6-methyl-2-azabicyclo[2.2.1]heptan-6-ol;hydrochloride?
The InChIKey is MDQKLUYUUUXREQ-FNCXLRSCSA-N. The full InChI is InChI=1S/C7H13NO.ClH/c1-7(9)3-5-2-6(7)8-4-5;/h5-6,8-9H,2-4H2,1H3;1H/t5-,6+,7-;/m1./s1.
What are the key properties of (1S,4R,6R)-6-methyl-2-azabicyclo[2.2.1]heptan-6-ol;hydrochloride?
(1S,4R,6R)-6-methyl-2-azabicyclo[2.2.1]heptan-6-ol;hydrochloride has a molecular weight of 163.65 g/mol, XLogP of 0.54, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,4R,6R)-6-methyl-2-azabicyclo[2.2.1]heptan-6-ol;hydrochloride is sourced from PubChem (CID 155859082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).