5,7-dimethylspiro[1,3-diazoniatricyclo[3.3.1.13,7]decane-2,1'-cyclohexane]-6-ol

C15H28N2O+2 — CID 4526383

IUPAC5,7-dimethylspiro[1,3-diazoniatricyclo[3.3.1.13,7]decane-2,1'-cyclohexane]-6-ol
SMILESCC12C[NH+]3CC(C)(C[NH+](C1)C31CCCCC1)C2O
InChIInChI=1S/C15H26N2O/c1-13-8-16-10-14(2,12(13)18)11-17(9-13)15(16)6-4-3-5-7-15/h12,18H,3-11H2,1-2H3/p+2
InChIKeyGIQUCSUGBSUOPY-UHFFFAOYSA-P
MW252.40 g/mol
LogP-1.17
Rot. Bonds

About 5,7-dimethylspiro[1,3-diazoniatricyclo[3.3.1.13,7]decane-2,1'-cyclohexane]-6-ol

5,7-dimethylspiro[1,3-diazoniatricyclo[3.3.1.13,7]decane-2,1'-cyclohexane]-6-ol (PubChem CID 4526383) has the molecular formula C15H28N2O+2 and a molecular weight of 252.40 g/mol. Its IUPAC name is 5,7-dimethylspiro[1,3-diazoniatricyclo[3.3.1.13,7]decane-2,1'-cyclohexane]-6-ol.

Molecular Properties

Compound Name5,7-dimethylspiro[1,3-diazoniatricyclo[3.3.1.13,7]decane-2,1'-cyclohexane]-6-ol
PubChem CID4526383
Molecular FormulaC15H28N2O+2
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC Name5,7-dimethylspiro[1,3-diazoniatricyclo[3.3.1.13,7]decane-2,1'-cyclohexane]-6-ol
SMILESCC12C[NH+]3CC(C)(C[NH+](C1)C31CCCCC1)C2O
InChIInChI=1S/C15H26N2O/c1-13-8-16-10-14(2,12(13)18)11-17(9-13)15(16)6-4-3-5-7-15/h12,18H,3-11H2,1-2H3/p+2
InChIKeyGIQUCSUGBSUOPY-UHFFFAOYSA-P
XLogP-1.17
TPSA29.11 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 5-1.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5,7-dimethylspiro[1,3-diazoniatricyclo[3.3.1.13,7]decane-2,1'-cyclohexane]-6-ol?
The IUPAC name of 5,7-dimethylspiro[1,3-diazoniatricyclo[3.3.1.13,7]decane-2,1'-cyclohexane]-6-ol (CID 4526383) is 5,7-dimethylspiro[1,3-diazoniatricyclo[3.3.1.13,7]decane-2,1'-cyclohexane]-6-ol.
What is the SMILES notation for 5,7-dimethylspiro[1,3-diazoniatricyclo[3.3.1.13,7]decane-2,1'-cyclohexane]-6-ol?
The canonical SMILES for 5,7-dimethylspiro[1,3-diazoniatricyclo[3.3.1.13,7]decane-2,1'-cyclohexane]-6-ol is CC12C[NH+]3CC(C)(C[NH+](C1)C31CCCCC1)C2O.
What is the InChIKey of 5,7-dimethylspiro[1,3-diazoniatricyclo[3.3.1.13,7]decane-2,1'-cyclohexane]-6-ol?
The InChIKey is GIQUCSUGBSUOPY-UHFFFAOYSA-P. The full InChI is InChI=1S/C15H26N2O/c1-13-8-16-10-14(2,12(13)18)11-17(9-13)15(16)6-4-3-5-7-15/h12,18H,3-11H2,1-2H3/p+2.
What are the key properties of 5,7-dimethylspiro[1,3-diazoniatricyclo[3.3.1.13,7]decane-2,1'-cyclohexane]-6-ol?
5,7-dimethylspiro[1,3-diazoniatricyclo[3.3.1.13,7]decane-2,1'-cyclohexane]-6-ol has a molecular weight of 252.40 g/mol, XLogP of -1.17, 0 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethylspiro[1,3-diazoniatricyclo[3.3.1.13,7]decane-2,1'-cyclohexane]-6-ol is sourced from PubChem (CID 4526383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).