2,2,9-trimethyl-5-(3-methyldibenzofuran-2-yl)-1-azatricyclo[3.3.1.13,7]decane

C25H29NO — CID 162295435

IUPAC2,2,9-trimethyl-5-(3-methyldibenzofuran-2-yl)-1-azatricyclo[3.3.1.13,7]decane
SMILESCc1cc2oc3ccccc3c2cc1C12CC3CC(C1)C(C)(C)N(C3)C2C
InChIInChI=1S/C25H29NO/c1-15-9-23-20(19-7-5-6-8-22(19)27-23)11-21(15)25-12-17-10-18(13-25)24(3,4)26(14-17)16(25)2/h5-9,11,16-18H,10,12-14H2,1-4H3
InChIKeyBATCAGXTNYPKPV-UHFFFAOYSA-N
MW359.51 g/mol
LogP6.04
Rot. Bonds1

About 2,2,9-trimethyl-5-(3-methyldibenzofuran-2-yl)-1-azatricyclo[3.3.1.13,7]decane

2,2,9-trimethyl-5-(3-methyldibenzofuran-2-yl)-1-azatricyclo[3.3.1.13,7]decane (PubChem CID 162295435) has the molecular formula C25H29NO and a molecular weight of 359.51 g/mol. Its IUPAC name is 2,2,9-trimethyl-5-(3-methyldibenzofuran-2-yl)-1-azatricyclo[3.3.1.13,7]decane.

Molecular Properties

Compound Name2,2,9-trimethyl-5-(3-methyldibenzofuran-2-yl)-1-azatricyclo[3.3.1.13,7]decane
PubChem CID162295435
Molecular FormulaC25H29NO
Molecular Weight359.51 g/mol
Exact Mass359.22
IUPAC Name2,2,9-trimethyl-5-(3-methyldibenzofuran-2-yl)-1-azatricyclo[3.3.1.13,7]decane
SMILESCc1cc2oc3ccccc3c2cc1C12CC3CC(C1)C(C)(C)N(C3)C2C
InChIInChI=1S/C25H29NO/c1-15-9-23-20(19-7-5-6-8-22(19)27-23)11-21(15)25-12-17-10-18(13-25)24(3,4)26(14-17)16(25)2/h5-9,11,16-18H,10,12-14H2,1-4H3
InChIKeyBATCAGXTNYPKPV-UHFFFAOYSA-N
XLogP6.04
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.51
LogP ≤ 56.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2,2,9-trimethyl-5-(3-methyldibenzofuran-2-yl)-1-azatricyclo[3.3.1.13,7]decane with MolForge

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Related Compounds

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3-dibenzofuran-2-yl-9-methyl-3,9-diazabicyclo[4.2.1]nonane
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Frequently Asked Questions

What is the IUPAC name of 2,2,9-trimethyl-5-(3-methyldibenzofuran-2-yl)-1-azatricyclo[3.3.1.13,7]decane?
The IUPAC name of 2,2,9-trimethyl-5-(3-methyldibenzofuran-2-yl)-1-azatricyclo[3.3.1.13,7]decane (CID 162295435) is 2,2,9-trimethyl-5-(3-methyldibenzofuran-2-yl)-1-azatricyclo[3.3.1.13,7]decane.
What is the SMILES notation for 2,2,9-trimethyl-5-(3-methyldibenzofuran-2-yl)-1-azatricyclo[3.3.1.13,7]decane?
The canonical SMILES for 2,2,9-trimethyl-5-(3-methyldibenzofuran-2-yl)-1-azatricyclo[3.3.1.13,7]decane is Cc1cc2oc3ccccc3c2cc1C12CC3CC(C1)C(C)(C)N(C3)C2C.
What is the InChIKey of 2,2,9-trimethyl-5-(3-methyldibenzofuran-2-yl)-1-azatricyclo[3.3.1.13,7]decane?
The InChIKey is BATCAGXTNYPKPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29NO/c1-15-9-23-20(19-7-5-6-8-22(19)27-23)11-21(15)25-12-17-10-18(13-25)24(3,4)26(14-17)16(25)2/h5-9,11,16-18H,10,12-14H2,1-4H3.
What are the key properties of 2,2,9-trimethyl-5-(3-methyldibenzofuran-2-yl)-1-azatricyclo[3.3.1.13,7]decane?
2,2,9-trimethyl-5-(3-methyldibenzofuran-2-yl)-1-azatricyclo[3.3.1.13,7]decane has a molecular weight of 359.51 g/mol, XLogP of 6.04, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,9-trimethyl-5-(3-methyldibenzofuran-2-yl)-1-azatricyclo[3.3.1.13,7]decane is sourced from PubChem (CID 162295435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).