2-(furan-2-yl)-5,7-di(propan-2-yl)-1,3-diazatricyclo[3.3.1.13,7]decan-6-ol

C18H28N2O2 — CID 4967935

IUPAC2-(furan-2-yl)-5,7-di(propan-2-yl)-1,3-diazatricyclo[3.3.1.13,7]decan-6-ol
SMILESCC(C)C12CN3CC(C(C)C)(CN(C1)C3c1ccco1)C2O
InChIInChI=1S/C18H28N2O2/c1-12(2)17-8-19-10-18(13(3)4,16(17)21)11-20(9-17)15(19)14-6-5-7-22-14/h5-7,12-13,15-16,21H,8-11H2,1-4H3
InChIKeyOBEPTUYWDWWWKG-UHFFFAOYSA-N
MW304.43 g/mol
LogP2.57
Rot. Bonds3

About 2-(furan-2-yl)-5,7-di(propan-2-yl)-1,3-diazatricyclo[3.3.1.13,7]decan-6-ol

2-(furan-2-yl)-5,7-di(propan-2-yl)-1,3-diazatricyclo[3.3.1.13,7]decan-6-ol (PubChem CID 4967935) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is 2-(furan-2-yl)-5,7-di(propan-2-yl)-1,3-diazatricyclo[3.3.1.13,7]decan-6-ol.

Molecular Properties

Compound Name2-(furan-2-yl)-5,7-di(propan-2-yl)-1,3-diazatricyclo[3.3.1.13,7]decan-6-ol
PubChem CID4967935
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC Name2-(furan-2-yl)-5,7-di(propan-2-yl)-1,3-diazatricyclo[3.3.1.13,7]decan-6-ol
SMILESCC(C)C12CN3CC(C(C)C)(CN(C1)C3c1ccco1)C2O
InChIInChI=1S/C18H28N2O2/c1-12(2)17-8-19-10-18(13(3)4,16(17)21)11-20(9-17)15(19)14-6-5-7-22-14/h5-7,12-13,15-16,21H,8-11H2,1-4H3
InChIKeyOBEPTUYWDWWWKG-UHFFFAOYSA-N
XLogP2.57
TPSA39.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-5,7-di(propan-2-yl)-1,3-diazatricyclo[3.3.1.13,7]decan-6-ol?
The IUPAC name of 2-(furan-2-yl)-5,7-di(propan-2-yl)-1,3-diazatricyclo[3.3.1.13,7]decan-6-ol (CID 4967935) is 2-(furan-2-yl)-5,7-di(propan-2-yl)-1,3-diazatricyclo[3.3.1.13,7]decan-6-ol.
What is the SMILES notation for 2-(furan-2-yl)-5,7-di(propan-2-yl)-1,3-diazatricyclo[3.3.1.13,7]decan-6-ol?
The canonical SMILES for 2-(furan-2-yl)-5,7-di(propan-2-yl)-1,3-diazatricyclo[3.3.1.13,7]decan-6-ol is CC(C)C12CN3CC(C(C)C)(CN(C1)C3c1ccco1)C2O.
What is the InChIKey of 2-(furan-2-yl)-5,7-di(propan-2-yl)-1,3-diazatricyclo[3.3.1.13,7]decan-6-ol?
The InChIKey is OBEPTUYWDWWWKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-12(2)17-8-19-10-18(13(3)4,16(17)21)11-20(9-17)15(19)14-6-5-7-22-14/h5-7,12-13,15-16,21H,8-11H2,1-4H3.
What are the key properties of 2-(furan-2-yl)-5,7-di(propan-2-yl)-1,3-diazatricyclo[3.3.1.13,7]decan-6-ol?
2-(furan-2-yl)-5,7-di(propan-2-yl)-1,3-diazatricyclo[3.3.1.13,7]decan-6-ol has a molecular weight of 304.43 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-5,7-di(propan-2-yl)-1,3-diazatricyclo[3.3.1.13,7]decan-6-ol is sourced from PubChem (CID 4967935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).