(1R,2S,3R,5R)-3-amino-6,6-dimethylbicyclo[3.1.1]heptan-2-ol

C9H17NO — CID 11528385

IUPAC(1R,2S,3R,5R)-3-amino-6,6-dimethylbicyclo[3.1.1]heptan-2-ol
SMILESCC1(C)[C@H]2C[C@@H](N)[C@@H](O)[C@@H]1C2
InChIInChI=1S/C9H17NO/c1-9(2)5-3-6(9)8(11)7(10)4-5/h5-8,11H,3-4,10H2,1-2H3/t5-,6+,7-,8+/m1/s1
InChIKeyWPYOTZNJWHTANI-CWKFCGSDSA-N
MW155.24 g/mol
LogP0.74
Rot. Bonds

About (1R,2S,3R,5R)-3-amino-6,6-dimethylbicyclo[3.1.1]heptan-2-ol

(1R,2S,3R,5R)-3-amino-6,6-dimethylbicyclo[3.1.1]heptan-2-ol (PubChem CID 11528385) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is (1R,2S,3R,5R)-3-amino-6,6-dimethylbicyclo[3.1.1]heptan-2-ol.

Molecular Properties

Compound Name(1R,2S,3R,5R)-3-amino-6,6-dimethylbicyclo[3.1.1]heptan-2-ol
PubChem CID11528385
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name(1R,2S,3R,5R)-3-amino-6,6-dimethylbicyclo[3.1.1]heptan-2-ol
SMILESCC1(C)[C@H]2C[C@@H](N)[C@@H](O)[C@@H]1C2
InChIInChI=1S/C9H17NO/c1-9(2)5-3-6(9)8(11)7(10)4-5/h5-8,11H,3-4,10H2,1-2H3/t5-,6+,7-,8+/m1/s1
InChIKeyWPYOTZNJWHTANI-CWKFCGSDSA-N
XLogP0.74
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R,2S,3R,5R)-3-amino-6,6-dimethylbicyclo[3.1.1]heptan-2-ol?
The IUPAC name of (1R,2S,3R,5R)-3-amino-6,6-dimethylbicyclo[3.1.1]heptan-2-ol (CID 11528385) is (1R,2S,3R,5R)-3-amino-6,6-dimethylbicyclo[3.1.1]heptan-2-ol.
What is the SMILES notation for (1R,2S,3R,5R)-3-amino-6,6-dimethylbicyclo[3.1.1]heptan-2-ol?
The canonical SMILES for (1R,2S,3R,5R)-3-amino-6,6-dimethylbicyclo[3.1.1]heptan-2-ol is CC1(C)[C@H]2C[C@@H](N)[C@@H](O)[C@@H]1C2.
What is the InChIKey of (1R,2S,3R,5R)-3-amino-6,6-dimethylbicyclo[3.1.1]heptan-2-ol?
The InChIKey is WPYOTZNJWHTANI-CWKFCGSDSA-N. The full InChI is InChI=1S/C9H17NO/c1-9(2)5-3-6(9)8(11)7(10)4-5/h5-8,11H,3-4,10H2,1-2H3/t5-,6+,7-,8+/m1/s1.
What are the key properties of (1R,2S,3R,5R)-3-amino-6,6-dimethylbicyclo[3.1.1]heptan-2-ol?
(1R,2S,3R,5R)-3-amino-6,6-dimethylbicyclo[3.1.1]heptan-2-ol has a molecular weight of 155.24 g/mol, XLogP of 0.74, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S,3R,5R)-3-amino-6,6-dimethylbicyclo[3.1.1]heptan-2-ol is sourced from PubChem (CID 11528385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).