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

C10H20ClNO — CID 67232742

IUPAC[(1R,2R,3R,5R)-2-amino-6,6-dimethyl-3-bicyclo[3.1.1]heptanyl]methanol;hydrochloride
SMILESCC1(C)[C@H]2C[C@@H](CO)[C@H](N)[C@@H]1C2.Cl
InChIInChI=1S/C10H19NO.ClH/c1-10(2)7-3-6(5-12)9(11)8(10)4-7;/h6-9,12H,3-5,11H2,1-2H3;1H/t6-,7-,8-,9-;/m0./s1
InChIKeyPLXCPBUMHKZMNY-GONFKSLHSA-N
MW205.73 g/mol
LogP1.41
Rot. Bonds1

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

[(1R,2R,3R,5R)-2-amino-6,6-dimethyl-3-bicyclo[3.1.1]heptanyl]methanol;hydrochloride (PubChem CID 67232742) has the molecular formula C10H20ClNO and a molecular weight of 205.73 g/mol. Its IUPAC name is [(1R,2R,3R,5R)-2-amino-6,6-dimethyl-3-bicyclo[3.1.1]heptanyl]methanol;hydrochloride.

Molecular Properties

Compound Name[(1R,2R,3R,5R)-2-amino-6,6-dimethyl-3-bicyclo[3.1.1]heptanyl]methanol;hydrochloride
PubChem CID67232742
Molecular FormulaC10H20ClNO
Molecular Weight205.73 g/mol
Exact Mass205.12
IUPAC Name[(1R,2R,3R,5R)-2-amino-6,6-dimethyl-3-bicyclo[3.1.1]heptanyl]methanol;hydrochloride
SMILESCC1(C)[C@H]2C[C@@H](CO)[C@H](N)[C@@H]1C2.Cl
InChIInChI=1S/C10H19NO.ClH/c1-10(2)7-3-6(5-12)9(11)8(10)4-7;/h6-9,12H,3-5,11H2,1-2H3;1H/t6-,7-,8-,9-;/m0./s1
InChIKeyPLXCPBUMHKZMNY-GONFKSLHSA-N
XLogP1.41
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.73
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze [(1R,2R,3R,5R)-2-amino-6,6-dimethyl-3-bicyclo[3.1.1]heptanyl]methanol;hydrochloride 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,2R,3R,5R)-2-amino-6,6-dimethyl-3-bicyclo[3.1.1]heptanyl]methanol;hydrochloride?
The IUPAC name of [(1R,2R,3R,5R)-2-amino-6,6-dimethyl-3-bicyclo[3.1.1]heptanyl]methanol;hydrochloride (CID 67232742) is [(1R,2R,3R,5R)-2-amino-6,6-dimethyl-3-bicyclo[3.1.1]heptanyl]methanol;hydrochloride.
What is the SMILES notation for [(1R,2R,3R,5R)-2-amino-6,6-dimethyl-3-bicyclo[3.1.1]heptanyl]methanol;hydrochloride?
The canonical SMILES for [(1R,2R,3R,5R)-2-amino-6,6-dimethyl-3-bicyclo[3.1.1]heptanyl]methanol;hydrochloride is CC1(C)[C@H]2C[C@@H](CO)[C@H](N)[C@@H]1C2.Cl.
What is the InChIKey of [(1R,2R,3R,5R)-2-amino-6,6-dimethyl-3-bicyclo[3.1.1]heptanyl]methanol;hydrochloride?
The InChIKey is PLXCPBUMHKZMNY-GONFKSLHSA-N. The full InChI is InChI=1S/C10H19NO.ClH/c1-10(2)7-3-6(5-12)9(11)8(10)4-7;/h6-9,12H,3-5,11H2,1-2H3;1H/t6-,7-,8-,9-;/m0./s1.
What are the key properties of [(1R,2R,3R,5R)-2-amino-6,6-dimethyl-3-bicyclo[3.1.1]heptanyl]methanol;hydrochloride?
[(1R,2R,3R,5R)-2-amino-6,6-dimethyl-3-bicyclo[3.1.1]heptanyl]methanol;hydrochloride has a molecular weight of 205.73 g/mol, XLogP of 1.41, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2R,3R,5R)-2-amino-6,6-dimethyl-3-bicyclo[3.1.1]heptanyl]methanol;hydrochloride is sourced from PubChem (CID 67232742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).