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

C17H30N2O2 — CID 42648972

IUPAC5-ethyl-2',2',7-trimethylspiro[1,3-diazatricyclo[3.3.1.13,7]decane-2,4'-oxane]-6-ol
SMILESCCC12CN3CC(C)(CN(C1)C31CCOC(C)(C)C1)C2O
InChIInChI=1S/C17H30N2O2/c1-5-16-11-18-9-15(4,13(16)20)10-19(12-16)17(18)6-7-21-14(2,3)8-17/h13,20H,5-12H2,1-4H3
InChIKeyMBRWLQSQZASSPU-UHFFFAOYSA-N
MW294.44 g/mol
LogP1.68
Rot. Bonds1

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

5-ethyl-2',2',7-trimethylspiro[1,3-diazatricyclo[3.3.1.13,7]decane-2,4'-oxane]-6-ol (PubChem CID 42648972) has the molecular formula C17H30N2O2 and a molecular weight of 294.44 g/mol. Its IUPAC name is 5-ethyl-2',2',7-trimethylspiro[1,3-diazatricyclo[3.3.1.13,7]decane-2,4'-oxane]-6-ol.

Molecular Properties

Compound Name5-ethyl-2',2',7-trimethylspiro[1,3-diazatricyclo[3.3.1.13,7]decane-2,4'-oxane]-6-ol
PubChem CID42648972
Molecular FormulaC17H30N2O2
Molecular Weight294.44 g/mol
Exact Mass294.23
IUPAC Name5-ethyl-2',2',7-trimethylspiro[1,3-diazatricyclo[3.3.1.13,7]decane-2,4'-oxane]-6-ol
SMILESCCC12CN3CC(C)(CN(C1)C31CCOC(C)(C)C1)C2O
InChIInChI=1S/C17H30N2O2/c1-5-16-11-18-9-15(4,13(16)20)10-19(12-16)17(18)6-7-21-14(2,3)8-17/h13,20H,5-12H2,1-4H3
InChIKeyMBRWLQSQZASSPU-UHFFFAOYSA-N
XLogP1.68
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2',2',7-trimethylspiro[1,3-diazatricyclo[3.3.1.13,7]decane-2,4'-oxane]-6-ol?
The IUPAC name of 5-ethyl-2',2',7-trimethylspiro[1,3-diazatricyclo[3.3.1.13,7]decane-2,4'-oxane]-6-ol (CID 42648972) is 5-ethyl-2',2',7-trimethylspiro[1,3-diazatricyclo[3.3.1.13,7]decane-2,4'-oxane]-6-ol.
What is the SMILES notation for 5-ethyl-2',2',7-trimethylspiro[1,3-diazatricyclo[3.3.1.13,7]decane-2,4'-oxane]-6-ol?
The canonical SMILES for 5-ethyl-2',2',7-trimethylspiro[1,3-diazatricyclo[3.3.1.13,7]decane-2,4'-oxane]-6-ol is CCC12CN3CC(C)(CN(C1)C31CCOC(C)(C)C1)C2O.
What is the InChIKey of 5-ethyl-2',2',7-trimethylspiro[1,3-diazatricyclo[3.3.1.13,7]decane-2,4'-oxane]-6-ol?
The InChIKey is MBRWLQSQZASSPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2O2/c1-5-16-11-18-9-15(4,13(16)20)10-19(12-16)17(18)6-7-21-14(2,3)8-17/h13,20H,5-12H2,1-4H3.
What are the key properties of 5-ethyl-2',2',7-trimethylspiro[1,3-diazatricyclo[3.3.1.13,7]decane-2,4'-oxane]-6-ol?
5-ethyl-2',2',7-trimethylspiro[1,3-diazatricyclo[3.3.1.13,7]decane-2,4'-oxane]-6-ol has a molecular weight of 294.44 g/mol, XLogP of 1.68, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2',2',7-trimethylspiro[1,3-diazatricyclo[3.3.1.13,7]decane-2,4'-oxane]-6-ol is sourced from PubChem (CID 42648972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).