[(1R,2R,3S,5R)-6,6-dimethyl-2-(methylamino)-3-bicyclo[3.1.1]heptanyl]methanol;hydrochloride

C11H22ClNO — CID 67232704

IUPAC[(1R,2R,3S,5R)-6,6-dimethyl-2-(methylamino)-3-bicyclo[3.1.1]heptanyl]methanol;hydrochloride
SMILESCN[C@H]1[C@@H](CO)C[C@H]2C[C@@H]1C2(C)C.Cl
InChIInChI=1S/C11H21NO.ClH/c1-11(2)8-4-7(6-13)10(12-3)9(11)5-8;/h7-10,12-13H,4-6H2,1-3H3;1H/t7-,8+,9+,10+;/m1./s1
InChIKeyQKDCDPBXCCAWAU-MRUBQFBLSA-N
MW219.76 g/mol
LogP1.67
Rot. Bonds2

About [(1R,2R,3S,5R)-6,6-dimethyl-2-(methylamino)-3-bicyclo[3.1.1]heptanyl]methanol;hydrochloride

[(1R,2R,3S,5R)-6,6-dimethyl-2-(methylamino)-3-bicyclo[3.1.1]heptanyl]methanol;hydrochloride (PubChem CID 67232704) has the molecular formula C11H22ClNO and a molecular weight of 219.76 g/mol. Its IUPAC name is [(1R,2R,3S,5R)-6,6-dimethyl-2-(methylamino)-3-bicyclo[3.1.1]heptanyl]methanol;hydrochloride.

Molecular Properties

Compound Name[(1R,2R,3S,5R)-6,6-dimethyl-2-(methylamino)-3-bicyclo[3.1.1]heptanyl]methanol;hydrochloride
PubChem CID67232704
Molecular FormulaC11H22ClNO
Molecular Weight219.76 g/mol
Exact Mass219.14
IUPAC Name[(1R,2R,3S,5R)-6,6-dimethyl-2-(methylamino)-3-bicyclo[3.1.1]heptanyl]methanol;hydrochloride
SMILESCN[C@H]1[C@@H](CO)C[C@H]2C[C@@H]1C2(C)C.Cl
InChIInChI=1S/C11H21NO.ClH/c1-11(2)8-4-7(6-13)10(12-3)9(11)5-8;/h7-10,12-13H,4-6H2,1-3H3;1H/t7-,8+,9+,10+;/m1./s1
InChIKeyQKDCDPBXCCAWAU-MRUBQFBLSA-N
XLogP1.67
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.76
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze [(1R,2R,3S,5R)-6,6-dimethyl-2-(methylamino)-3-bicyclo[3.1.1]heptanyl]methanol;hydrochloride with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(1R,2R,3S,5R)-6,6-dimethyl-2-(methylamino)-3-bicyclo[3.1.1]heptanyl]methanol;hydrochloride?
The IUPAC name of [(1R,2R,3S,5R)-6,6-dimethyl-2-(methylamino)-3-bicyclo[3.1.1]heptanyl]methanol;hydrochloride (CID 67232704) is [(1R,2R,3S,5R)-6,6-dimethyl-2-(methylamino)-3-bicyclo[3.1.1]heptanyl]methanol;hydrochloride.
What is the SMILES notation for [(1R,2R,3S,5R)-6,6-dimethyl-2-(methylamino)-3-bicyclo[3.1.1]heptanyl]methanol;hydrochloride?
The canonical SMILES for [(1R,2R,3S,5R)-6,6-dimethyl-2-(methylamino)-3-bicyclo[3.1.1]heptanyl]methanol;hydrochloride is CN[C@H]1[C@@H](CO)C[C@H]2C[C@@H]1C2(C)C.Cl.
What is the InChIKey of [(1R,2R,3S,5R)-6,6-dimethyl-2-(methylamino)-3-bicyclo[3.1.1]heptanyl]methanol;hydrochloride?
The InChIKey is QKDCDPBXCCAWAU-MRUBQFBLSA-N. The full InChI is InChI=1S/C11H21NO.ClH/c1-11(2)8-4-7(6-13)10(12-3)9(11)5-8;/h7-10,12-13H,4-6H2,1-3H3;1H/t7-,8+,9+,10+;/m1./s1.
What are the key properties of [(1R,2R,3S,5R)-6,6-dimethyl-2-(methylamino)-3-bicyclo[3.1.1]heptanyl]methanol;hydrochloride?
[(1R,2R,3S,5R)-6,6-dimethyl-2-(methylamino)-3-bicyclo[3.1.1]heptanyl]methanol;hydrochloride has a molecular weight of 219.76 g/mol, XLogP of 1.67, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2R,3S,5R)-6,6-dimethyl-2-(methylamino)-3-bicyclo[3.1.1]heptanyl]methanol;hydrochloride is sourced from PubChem (CID 67232704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).