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

C16H30N2O2+2 — CID 6948987

IUPAC2',2',5,7-tetramethylspiro[1,3-diazoniatricyclo[3.3.1.13,7]decane-2,4'-oxane]-6-ol
SMILESCC1(C)CC2(CCO1)[NH+]1CC3(C)C[NH+]2CC(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/p+2
InChIKeyPDIXWXRVZLZMKD-UHFFFAOYSA-P
MW282.43 g/mol
LogP-1.54
Rot. Bonds

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

2',2',5,7-tetramethylspiro[1,3-diazoniatricyclo[3.3.1.13,7]decane-2,4'-oxane]-6-ol (PubChem CID 6948987) has the molecular formula C16H30N2O2+2 and a molecular weight of 282.43 g/mol. Its IUPAC name is 2',2',5,7-tetramethylspiro[1,3-diazoniatricyclo[3.3.1.13,7]decane-2,4'-oxane]-6-ol.

Molecular Properties

Compound Name2',2',5,7-tetramethylspiro[1,3-diazoniatricyclo[3.3.1.13,7]decane-2,4'-oxane]-6-ol
PubChem CID6948987
Molecular FormulaC16H30N2O2+2
Molecular Weight282.43 g/mol
Exact Mass282.23
IUPAC Name2',2',5,7-tetramethylspiro[1,3-diazoniatricyclo[3.3.1.13,7]decane-2,4'-oxane]-6-ol
SMILESCC1(C)CC2(CCO1)[NH+]1CC3(C)C[NH+]2CC(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/p+2
InChIKeyPDIXWXRVZLZMKD-UHFFFAOYSA-P
XLogP-1.54
TPSA38.34 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 5-1.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze 2',2',5,7-tetramethylspiro[1,3-diazoniatricyclo[3.3.1.13,7]decane-2,4'-oxane]-6-ol with MolForge

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Related Compounds

2',2',5,7-Tetramethyltetrahydrospiro[1,3-diazatricyclo[3.3.1.1~3,7~]decane-2,4'-pyran]-6-ol
CID 838942
2',2'-Dimethyl-5,7-dipropyltetrahydro-1,3-diazaspiro[adamantane-2,4'-pyran]-6-ol
CID 16407842
5-Ethyl-2',2',7-trimethyltetrahydro-1,3-diazaspiro[adamantane-2,4'-pyran]-6-ol
CID 42648972
2-[(4R)-2,2-dimethyloxan-4-yl]-5,7-dimethyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-ol
CID 904988
2-[(4S)-2,2-dimethyloxan-4-yl]-5,7-dimethyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-ol
CID 904989
(1r,5R,7S)-2-(2,2-dimethyltetrahydro-2H-pyran-4-yl)-5,7-dimethyl-1,3-diazaadamantan-6-ol
CID 3752815
5,7-Dimethylspiro[1,3-diazoniatricyclo[3.3.1.13,7]decane-2,1'-cyclohexane]-6-ol
CID 4526383
2',2',5,7-Tetramethylspiro[1,3-diazoniatricyclo[3.3.1.13,7]decane-2,4'-oxane]-6-one
CID 6946481
2-[(4R)-2,2-dimethyloxan-4-yl]-5,7-dimethyl-1,3-diazoniatricyclo[3.3.1.13,7]decan-6-ol
CID 7079076
2-[(4S)-2,2-dimethyloxan-4-yl]-5,7-dimethyl-1,3-diazoniatricyclo[3.3.1.13,7]decan-6-ol
CID 7079077
(1r,5R,6s,7S)-2-(2,2-dimethyltetrahydro-2H-pyran-4-yl)-5,7-diethyl-1,3-diazaadamantan-6-ol
CID 16407980
(1R,5S,6S,7R)-2',2',5-trimethyl-7-propyltetrahydro-1,3-diazaspiro[adamantane-2,4'-pyran]-6-ol
CID 17571820

Frequently Asked Questions

What is the IUPAC name of 2',2',5,7-tetramethylspiro[1,3-diazoniatricyclo[3.3.1.13,7]decane-2,4'-oxane]-6-ol?
The IUPAC name of 2',2',5,7-tetramethylspiro[1,3-diazoniatricyclo[3.3.1.13,7]decane-2,4'-oxane]-6-ol (CID 6948987) is 2',2',5,7-tetramethylspiro[1,3-diazoniatricyclo[3.3.1.13,7]decane-2,4'-oxane]-6-ol.
What is the SMILES notation for 2',2',5,7-tetramethylspiro[1,3-diazoniatricyclo[3.3.1.13,7]decane-2,4'-oxane]-6-ol?
The canonical SMILES for 2',2',5,7-tetramethylspiro[1,3-diazoniatricyclo[3.3.1.13,7]decane-2,4'-oxane]-6-ol is CC1(C)CC2(CCO1)[NH+]1CC3(C)C[NH+]2CC(C)(C1)C3O.
What is the InChIKey of 2',2',5,7-tetramethylspiro[1,3-diazoniatricyclo[3.3.1.13,7]decane-2,4'-oxane]-6-ol?
The InChIKey is PDIXWXRVZLZMKD-UHFFFAOYSA-P. 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/p+2.
What are the key properties of 2',2',5,7-tetramethylspiro[1,3-diazoniatricyclo[3.3.1.13,7]decane-2,4'-oxane]-6-ol?
2',2',5,7-tetramethylspiro[1,3-diazoniatricyclo[3.3.1.13,7]decane-2,4'-oxane]-6-ol has a molecular weight of 282.43 g/mol, XLogP of -1.54, 0 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2',2',5,7-tetramethylspiro[1,3-diazoniatricyclo[3.3.1.13,7]decane-2,4'-oxane]-6-ol is sourced from PubChem (CID 6948987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).