2-(furan-2-yl)-5,7-dimethyl-1,3-diazatricyclo[3.3.1.13,7]decane

C14H20N2O — CID 907246

IUPAC2-(furan-2-yl)-5,7-dimethyl-1,3-diazatricyclo[3.3.1.13,7]decane
SMILESCC12CN3CC(C)(CN(C1)C3c1ccco1)C2
InChIInChI=1S/C14H20N2O/c1-13-6-14(2)9-15(7-13)12(16(8-13)10-14)11-4-3-5-17-11/h3-5,12H,6-10H2,1-2H3
InChIKeyGJHIOQYKFOFHGN-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.33
Rot. Bonds1

About 2-(furan-2-yl)-5,7-dimethyl-1,3-diazatricyclo[3.3.1.13,7]decane

2-(furan-2-yl)-5,7-dimethyl-1,3-diazatricyclo[3.3.1.13,7]decane (PubChem CID 907246) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 2-(furan-2-yl)-5,7-dimethyl-1,3-diazatricyclo[3.3.1.13,7]decane.

Molecular Properties

Compound Name2-(furan-2-yl)-5,7-dimethyl-1,3-diazatricyclo[3.3.1.13,7]decane
PubChem CID907246
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name2-(furan-2-yl)-5,7-dimethyl-1,3-diazatricyclo[3.3.1.13,7]decane
SMILESCC12CN3CC(C)(CN(C1)C3c1ccco1)C2
InChIInChI=1S/C14H20N2O/c1-13-6-14(2)9-15(7-13)12(16(8-13)10-14)11-4-3-5-17-11/h3-5,12H,6-10H2,1-2H3
InChIKeyGJHIOQYKFOFHGN-UHFFFAOYSA-N
XLogP2.33
TPSA19.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-5,7-dimethyl-1,3-diazatricyclo[3.3.1.13,7]decane?
The IUPAC name of 2-(furan-2-yl)-5,7-dimethyl-1,3-diazatricyclo[3.3.1.13,7]decane (CID 907246) is 2-(furan-2-yl)-5,7-dimethyl-1,3-diazatricyclo[3.3.1.13,7]decane.
What is the SMILES notation for 2-(furan-2-yl)-5,7-dimethyl-1,3-diazatricyclo[3.3.1.13,7]decane?
The canonical SMILES for 2-(furan-2-yl)-5,7-dimethyl-1,3-diazatricyclo[3.3.1.13,7]decane is CC12CN3CC(C)(CN(C1)C3c1ccco1)C2.
What is the InChIKey of 2-(furan-2-yl)-5,7-dimethyl-1,3-diazatricyclo[3.3.1.13,7]decane?
The InChIKey is GJHIOQYKFOFHGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-13-6-14(2)9-15(7-13)12(16(8-13)10-14)11-4-3-5-17-11/h3-5,12H,6-10H2,1-2H3.
What are the key properties of 2-(furan-2-yl)-5,7-dimethyl-1,3-diazatricyclo[3.3.1.13,7]decane?
2-(furan-2-yl)-5,7-dimethyl-1,3-diazatricyclo[3.3.1.13,7]decane has a molecular weight of 232.33 g/mol, XLogP of 2.33, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-5,7-dimethyl-1,3-diazatricyclo[3.3.1.13,7]decane is sourced from PubChem (CID 907246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).