2-(2,2-dimethyloxan-4-yl)-5-ethyl-7-methyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one

C18H30N2O2 — CID 42648031

IUPAC2-(2,2-dimethyloxan-4-yl)-5-ethyl-7-methyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one
SMILESCCC12CN3CC(C)(CN(C1)C3C1CCOC(C)(C)C1)C2=O
InChIInChI=1S/C18H30N2O2/c1-5-18-11-19-9-17(4,15(18)21)10-20(12-18)14(19)13-6-7-22-16(2,3)8-13/h13-14H,5-12H2,1-4H3
InChIKeyFAIWTICMJBTPRQ-UHFFFAOYSA-N
MW306.45 g/mol
LogP2.13
Rot. Bonds2

About 2-(2,2-dimethyloxan-4-yl)-5-ethyl-7-methyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one

2-(2,2-dimethyloxan-4-yl)-5-ethyl-7-methyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one (PubChem CID 42648031) has the molecular formula C18H30N2O2 and a molecular weight of 306.45 g/mol. Its IUPAC name is 2-(2,2-dimethyloxan-4-yl)-5-ethyl-7-methyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one.

Molecular Properties

Compound Name2-(2,2-dimethyloxan-4-yl)-5-ethyl-7-methyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one
PubChem CID42648031
Molecular FormulaC18H30N2O2
Molecular Weight306.45 g/mol
Exact Mass306.23
IUPAC Name2-(2,2-dimethyloxan-4-yl)-5-ethyl-7-methyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one
SMILESCCC12CN3CC(C)(CN(C1)C3C1CCOC(C)(C)C1)C2=O
InChIInChI=1S/C18H30N2O2/c1-5-18-11-19-9-17(4,15(18)21)10-20(12-18)14(19)13-6-7-22-16(2,3)8-13/h13-14H,5-12H2,1-4H3
InChIKeyFAIWTICMJBTPRQ-UHFFFAOYSA-N
XLogP2.13
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.45
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethyloxan-4-yl)-5-ethyl-7-methyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one?
The IUPAC name of 2-(2,2-dimethyloxan-4-yl)-5-ethyl-7-methyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one (CID 42648031) is 2-(2,2-dimethyloxan-4-yl)-5-ethyl-7-methyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one.
What is the SMILES notation for 2-(2,2-dimethyloxan-4-yl)-5-ethyl-7-methyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one?
The canonical SMILES for 2-(2,2-dimethyloxan-4-yl)-5-ethyl-7-methyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one is CCC12CN3CC(C)(CN(C1)C3C1CCOC(C)(C)C1)C2=O.
What is the InChIKey of 2-(2,2-dimethyloxan-4-yl)-5-ethyl-7-methyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one?
The InChIKey is FAIWTICMJBTPRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O2/c1-5-18-11-19-9-17(4,15(18)21)10-20(12-18)14(19)13-6-7-22-16(2,3)8-13/h13-14H,5-12H2,1-4H3.
What are the key properties of 2-(2,2-dimethyloxan-4-yl)-5-ethyl-7-methyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one?
2-(2,2-dimethyloxan-4-yl)-5-ethyl-7-methyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one has a molecular weight of 306.45 g/mol, XLogP of 2.13, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethyloxan-4-yl)-5-ethyl-7-methyl-1,3-diazatricyclo[3.3.1.13,7]decan-6-one is sourced from PubChem (CID 42648031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).