5-methyl-7-propylspiro[1,3-diazatricyclo[3.3.1.13,7]decane-2,1'-cyclohexane]-6-one

C17H28N2O — CID 752764

IUPAC5-methyl-7-propylspiro[1,3-diazatricyclo[3.3.1.13,7]decane-2,1'-cyclohexane]-6-one
SMILESCCCC12CN3CC(C)(CN(C1)C31CCCCC1)C2=O
InChIInChI=1S/C17H28N2O/c1-3-7-16-12-18-10-15(2,14(16)20)11-19(13-16)17(18)8-5-4-6-9-17/h3-13H2,1-2H3
InChIKeyCMOACXVWIHSUTG-UHFFFAOYSA-N
MW276.42 g/mol
LogP2.65
Rot. Bonds2

About 5-methyl-7-propylspiro[1,3-diazatricyclo[3.3.1.13,7]decane-2,1'-cyclohexane]-6-one

5-methyl-7-propylspiro[1,3-diazatricyclo[3.3.1.13,7]decane-2,1'-cyclohexane]-6-one (PubChem CID 752764) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 5-methyl-7-propylspiro[1,3-diazatricyclo[3.3.1.13,7]decane-2,1'-cyclohexane]-6-one.

Molecular Properties

Compound Name5-methyl-7-propylspiro[1,3-diazatricyclo[3.3.1.13,7]decane-2,1'-cyclohexane]-6-one
PubChem CID752764
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name5-methyl-7-propylspiro[1,3-diazatricyclo[3.3.1.13,7]decane-2,1'-cyclohexane]-6-one
SMILESCCCC12CN3CC(C)(CN(C1)C31CCCCC1)C2=O
InChIInChI=1S/C17H28N2O/c1-3-7-16-12-18-10-15(2,14(16)20)11-19(13-16)17(18)8-5-4-6-9-17/h3-13H2,1-2H3
InChIKeyCMOACXVWIHSUTG-UHFFFAOYSA-N
XLogP2.65
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-7-propylspiro[1,3-diazatricyclo[3.3.1.13,7]decane-2,1'-cyclohexane]-6-one?
The IUPAC name of 5-methyl-7-propylspiro[1,3-diazatricyclo[3.3.1.13,7]decane-2,1'-cyclohexane]-6-one (CID 752764) is 5-methyl-7-propylspiro[1,3-diazatricyclo[3.3.1.13,7]decane-2,1'-cyclohexane]-6-one.
What is the SMILES notation for 5-methyl-7-propylspiro[1,3-diazatricyclo[3.3.1.13,7]decane-2,1'-cyclohexane]-6-one?
The canonical SMILES for 5-methyl-7-propylspiro[1,3-diazatricyclo[3.3.1.13,7]decane-2,1'-cyclohexane]-6-one is CCCC12CN3CC(C)(CN(C1)C31CCCCC1)C2=O.
What is the InChIKey of 5-methyl-7-propylspiro[1,3-diazatricyclo[3.3.1.13,7]decane-2,1'-cyclohexane]-6-one?
The InChIKey is CMOACXVWIHSUTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-3-7-16-12-18-10-15(2,14(16)20)11-19(13-16)17(18)8-5-4-6-9-17/h3-13H2,1-2H3.
What are the key properties of 5-methyl-7-propylspiro[1,3-diazatricyclo[3.3.1.13,7]decane-2,1'-cyclohexane]-6-one?
5-methyl-7-propylspiro[1,3-diazatricyclo[3.3.1.13,7]decane-2,1'-cyclohexane]-6-one has a molecular weight of 276.42 g/mol, XLogP of 2.65, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-7-propylspiro[1,3-diazatricyclo[3.3.1.13,7]decane-2,1'-cyclohexane]-6-one is sourced from PubChem (CID 752764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).