[(1S,1'S,2R,4R)-3-aminospiro[bicyclo[2.2.1]heptane-2,3'-cyclohexane]-1'-yl]methanol

C13H23NO — CID 170440223

IUPAC[(1S,1'S,2R,4R)-3-aminospiro[bicyclo[2.2.1]heptane-2,3'-cyclohexane]-1'-yl]methanol
SMILESNC1[C@@H]2CC[C@@H](C2)[C@]12CCC[C@H](CO)C2
InChIInChI=1S/C13H23NO/c14-12-10-3-4-11(6-10)13(12)5-1-2-9(7-13)8-15/h9-12,15H,1-8,14H2/t9-,10+,11-,12?,13+/m0/s1
InChIKeyGSXALGPOPXNLGZ-BLVYXGDSSA-N
MW209.33 g/mol
LogP1.91
Rot. Bonds1

About [(1S,1'S,2R,4R)-3-aminospiro[bicyclo[2.2.1]heptane-2,3'-cyclohexane]-1'-yl]methanol

[(1S,1'S,2R,4R)-3-aminospiro[bicyclo[2.2.1]heptane-2,3'-cyclohexane]-1'-yl]methanol (PubChem CID 170440223) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is [(1S,1'S,2R,4R)-3-aminospiro[bicyclo[2.2.1]heptane-2,3'-cyclohexane]-1'-yl]methanol.

Molecular Properties

Compound Name[(1S,1'S,2R,4R)-3-aminospiro[bicyclo[2.2.1]heptane-2,3'-cyclohexane]-1'-yl]methanol
PubChem CID170440223
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name[(1S,1'S,2R,4R)-3-aminospiro[bicyclo[2.2.1]heptane-2,3'-cyclohexane]-1'-yl]methanol
SMILESNC1[C@@H]2CC[C@@H](C2)[C@]12CCC[C@H](CO)C2
InChIInChI=1S/C13H23NO/c14-12-10-3-4-11(6-10)13(12)5-1-2-9(7-13)8-15/h9-12,15H,1-8,14H2/t9-,10+,11-,12?,13+/m0/s1
InChIKeyGSXALGPOPXNLGZ-BLVYXGDSSA-N
XLogP1.91
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(1S,1'S,2R,4R)-3-aminospiro[bicyclo[2.2.1]heptane-2,3'-cyclohexane]-1'-yl]methanol?
The IUPAC name of [(1S,1'S,2R,4R)-3-aminospiro[bicyclo[2.2.1]heptane-2,3'-cyclohexane]-1'-yl]methanol (CID 170440223) is [(1S,1'S,2R,4R)-3-aminospiro[bicyclo[2.2.1]heptane-2,3'-cyclohexane]-1'-yl]methanol.
What is the SMILES notation for [(1S,1'S,2R,4R)-3-aminospiro[bicyclo[2.2.1]heptane-2,3'-cyclohexane]-1'-yl]methanol?
The canonical SMILES for [(1S,1'S,2R,4R)-3-aminospiro[bicyclo[2.2.1]heptane-2,3'-cyclohexane]-1'-yl]methanol is NC1[C@@H]2CC[C@@H](C2)[C@]12CCC[C@H](CO)C2.
What is the InChIKey of [(1S,1'S,2R,4R)-3-aminospiro[bicyclo[2.2.1]heptane-2,3'-cyclohexane]-1'-yl]methanol?
The InChIKey is GSXALGPOPXNLGZ-BLVYXGDSSA-N. The full InChI is InChI=1S/C13H23NO/c14-12-10-3-4-11(6-10)13(12)5-1-2-9(7-13)8-15/h9-12,15H,1-8,14H2/t9-,10+,11-,12?,13+/m0/s1.
What are the key properties of [(1S,1'S,2R,4R)-3-aminospiro[bicyclo[2.2.1]heptane-2,3'-cyclohexane]-1'-yl]methanol?
[(1S,1'S,2R,4R)-3-aminospiro[bicyclo[2.2.1]heptane-2,3'-cyclohexane]-1'-yl]methanol has a molecular weight of 209.33 g/mol, XLogP of 1.91, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,1'S,2R,4R)-3-aminospiro[bicyclo[2.2.1]heptane-2,3'-cyclohexane]-1'-yl]methanol is sourced from PubChem (CID 170440223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).