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

C11H21NO — CID 68527765

IUPAC[(1R,2S,3S,5S)-6,6-dimethyl-2-(methylamino)-3-bicyclo[3.1.1]heptanyl]methanol
SMILESCN[C@@H]1[C@@H](CO)C[C@@H]2C[C@@H]1C2(C)C
InChIInChI=1S/C11H21NO/c1-11(2)8-4-7(6-13)10(12-3)9(11)5-8/h7-10,12-13H,4-6H2,1-3H3/t7-,8-,9+,10-/m1/s1
InChIKeyDYQUEYPBTMNSGO-DOLQZWNJSA-N
MW183.29 g/mol
LogP1.25
Rot. Bonds2

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

[(1R,2S,3S,5S)-6,6-dimethyl-2-(methylamino)-3-bicyclo[3.1.1]heptanyl]methanol (PubChem CID 68527765) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is [(1R,2S,3S,5S)-6,6-dimethyl-2-(methylamino)-3-bicyclo[3.1.1]heptanyl]methanol.

Molecular Properties

Compound Name[(1R,2S,3S,5S)-6,6-dimethyl-2-(methylamino)-3-bicyclo[3.1.1]heptanyl]methanol
PubChem CID68527765
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name[(1R,2S,3S,5S)-6,6-dimethyl-2-(methylamino)-3-bicyclo[3.1.1]heptanyl]methanol
SMILESCN[C@@H]1[C@@H](CO)C[C@@H]2C[C@@H]1C2(C)C
InChIInChI=1S/C11H21NO/c1-11(2)8-4-7(6-13)10(12-3)9(11)5-8/h7-10,12-13H,4-6H2,1-3H3/t7-,8-,9+,10-/m1/s1
InChIKeyDYQUEYPBTMNSGO-DOLQZWNJSA-N
XLogP1.25
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(1R,2S,3S,5S)-6,6-dimethyl-2-(methylamino)-3-bicyclo[3.1.1]heptanyl]methanol?
The IUPAC name of [(1R,2S,3S,5S)-6,6-dimethyl-2-(methylamino)-3-bicyclo[3.1.1]heptanyl]methanol (CID 68527765) is [(1R,2S,3S,5S)-6,6-dimethyl-2-(methylamino)-3-bicyclo[3.1.1]heptanyl]methanol.
What is the SMILES notation for [(1R,2S,3S,5S)-6,6-dimethyl-2-(methylamino)-3-bicyclo[3.1.1]heptanyl]methanol?
The canonical SMILES for [(1R,2S,3S,5S)-6,6-dimethyl-2-(methylamino)-3-bicyclo[3.1.1]heptanyl]methanol is CN[C@@H]1[C@@H](CO)C[C@@H]2C[C@@H]1C2(C)C.
What is the InChIKey of [(1R,2S,3S,5S)-6,6-dimethyl-2-(methylamino)-3-bicyclo[3.1.1]heptanyl]methanol?
The InChIKey is DYQUEYPBTMNSGO-DOLQZWNJSA-N. The full InChI is InChI=1S/C11H21NO/c1-11(2)8-4-7(6-13)10(12-3)9(11)5-8/h7-10,12-13H,4-6H2,1-3H3/t7-,8-,9+,10-/m1/s1.
What are the key properties of [(1R,2S,3S,5S)-6,6-dimethyl-2-(methylamino)-3-bicyclo[3.1.1]heptanyl]methanol?
[(1R,2S,3S,5S)-6,6-dimethyl-2-(methylamino)-3-bicyclo[3.1.1]heptanyl]methanol has a molecular weight of 183.29 g/mol, XLogP of 1.25, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2S,3S,5S)-6,6-dimethyl-2-(methylamino)-3-bicyclo[3.1.1]heptanyl]methanol is sourced from PubChem (CID 68527765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).