2',2',5,7-tetramethylspiro[1,3-diazatricyclo[3.3.1.13,7]decane-2,4'-oxane]-6-ol

C16H28N2O2 — CID 838942

IUPAC2',2',5,7-tetramethylspiro[1,3-diazatricyclo[3.3.1.13,7]decane-2,4'-oxane]-6-ol
SMILESCC1(C)CC2(CCO1)N1CC3(C)CN2CC(C)(C1)C3O
InChIInChI=1S/C16H28N2O2/c1-13(2)7-16(5-6-20-13)17-8-14(3)9-18(16)11-15(4,10-17)12(14)19/h12,19H,5-11H2,1-4H3
InChIKeyPDIXWXRVZLZMKD-UHFFFAOYSA-N
MW280.41 g/mol
LogP1.29
Rot. Bonds

About 2',2',5,7-tetramethylspiro[1,3-diazatricyclo[3.3.1.13,7]decane-2,4'-oxane]-6-ol

2',2',5,7-tetramethylspiro[1,3-diazatricyclo[3.3.1.13,7]decane-2,4'-oxane]-6-ol (PubChem CID 838942) has the molecular formula C16H28N2O2 and a molecular weight of 280.41 g/mol. Its IUPAC name is 2',2',5,7-tetramethylspiro[1,3-diazatricyclo[3.3.1.13,7]decane-2,4'-oxane]-6-ol.

Molecular Properties

Compound Name2',2',5,7-tetramethylspiro[1,3-diazatricyclo[3.3.1.13,7]decane-2,4'-oxane]-6-ol
PubChem CID838942
Molecular FormulaC16H28N2O2
Molecular Weight280.41 g/mol
Exact Mass280.22
IUPAC Name2',2',5,7-tetramethylspiro[1,3-diazatricyclo[3.3.1.13,7]decane-2,4'-oxane]-6-ol
SMILESCC1(C)CC2(CCO1)N1CC3(C)CN2CC(C)(C1)C3O
InChIInChI=1S/C16H28N2O2/c1-13(2)7-16(5-6-20-13)17-8-14(3)9-18(16)11-15(4,10-17)12(14)19/h12,19H,5-11H2,1-4H3
InChIKeyPDIXWXRVZLZMKD-UHFFFAOYSA-N
XLogP1.29
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2',2',5,7-tetramethylspiro[1,3-diazatricyclo[3.3.1.13,7]decane-2,4'-oxane]-6-ol?
The IUPAC name of 2',2',5,7-tetramethylspiro[1,3-diazatricyclo[3.3.1.13,7]decane-2,4'-oxane]-6-ol (CID 838942) is 2',2',5,7-tetramethylspiro[1,3-diazatricyclo[3.3.1.13,7]decane-2,4'-oxane]-6-ol.
What is the SMILES notation for 2',2',5,7-tetramethylspiro[1,3-diazatricyclo[3.3.1.13,7]decane-2,4'-oxane]-6-ol?
The canonical SMILES for 2',2',5,7-tetramethylspiro[1,3-diazatricyclo[3.3.1.13,7]decane-2,4'-oxane]-6-ol is CC1(C)CC2(CCO1)N1CC3(C)CN2CC(C)(C1)C3O.
What is the InChIKey of 2',2',5,7-tetramethylspiro[1,3-diazatricyclo[3.3.1.13,7]decane-2,4'-oxane]-6-ol?
The InChIKey is PDIXWXRVZLZMKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2/c1-13(2)7-16(5-6-20-13)17-8-14(3)9-18(16)11-15(4,10-17)12(14)19/h12,19H,5-11H2,1-4H3.
What are the key properties of 2',2',5,7-tetramethylspiro[1,3-diazatricyclo[3.3.1.13,7]decane-2,4'-oxane]-6-ol?
2',2',5,7-tetramethylspiro[1,3-diazatricyclo[3.3.1.13,7]decane-2,4'-oxane]-6-ol has a molecular weight of 280.41 g/mol, XLogP of 1.29, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2',2',5,7-tetramethylspiro[1,3-diazatricyclo[3.3.1.13,7]decane-2,4'-oxane]-6-ol is sourced from PubChem (CID 838942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).