1-methyl-11-(3-methylbut-2-enyl)-11-azatricyclo[7.4.1.02,7]tetradeca-2(7),3,5-trien-4-ol

C19H27NO — CID 70636548

IUPAC1-methyl-11-(3-methylbut-2-enyl)-11-azatricyclo[7.4.1.02,7]tetradeca-2(7),3,5-trien-4-ol
SMILESCC(C)=CCN1CCC2(C)CC(Cc3ccc(O)cc32)C1
InChIInChI=1S/C19H27NO/c1-14(2)6-8-20-9-7-19(3)12-15(13-20)10-16-4-5-17(21)11-18(16)19/h4-6,11,15,21H,7-10,12-13H2,1-3H3
InChIKeyXPOYGMHBFOQXFP-UHFFFAOYSA-N
MW285.43 g/mol
LogP3.88
Rot. Bonds2

About 1-methyl-11-(3-methylbut-2-enyl)-11-azatricyclo[7.4.1.02,7]tetradeca-2(7),3,5-trien-4-ol

1-methyl-11-(3-methylbut-2-enyl)-11-azatricyclo[7.4.1.02,7]tetradeca-2(7),3,5-trien-4-ol (PubChem CID 70636548) has the molecular formula C19H27NO and a molecular weight of 285.43 g/mol. Its IUPAC name is 1-methyl-11-(3-methylbut-2-enyl)-11-azatricyclo[7.4.1.02,7]tetradeca-2(7),3,5-trien-4-ol.

Molecular Properties

Compound Name1-methyl-11-(3-methylbut-2-enyl)-11-azatricyclo[7.4.1.02,7]tetradeca-2(7),3,5-trien-4-ol
PubChem CID70636548
Molecular FormulaC19H27NO
Molecular Weight285.43 g/mol
Exact Mass285.21
IUPAC Name1-methyl-11-(3-methylbut-2-enyl)-11-azatricyclo[7.4.1.02,7]tetradeca-2(7),3,5-trien-4-ol
SMILESCC(C)=CCN1CCC2(C)CC(Cc3ccc(O)cc32)C1
InChIInChI=1S/C19H27NO/c1-14(2)6-8-20-9-7-19(3)12-15(13-20)10-16-4-5-17(21)11-18(16)19/h4-6,11,15,21H,7-10,12-13H2,1-3H3
InChIKeyXPOYGMHBFOQXFP-UHFFFAOYSA-N
XLogP3.88
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 1-methyl-11-(3-methylbut-2-enyl)-11-azatricyclo[7.4.1.02,7]tetradeca-2(7),3,5-trien-4-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-methyl-11-(3-methylbut-2-enyl)-11-azatricyclo[7.4.1.02,7]tetradeca-2(7),3,5-trien-4-ol?
The IUPAC name of 1-methyl-11-(3-methylbut-2-enyl)-11-azatricyclo[7.4.1.02,7]tetradeca-2(7),3,5-trien-4-ol (CID 70636548) is 1-methyl-11-(3-methylbut-2-enyl)-11-azatricyclo[7.4.1.02,7]tetradeca-2(7),3,5-trien-4-ol.
What is the SMILES notation for 1-methyl-11-(3-methylbut-2-enyl)-11-azatricyclo[7.4.1.02,7]tetradeca-2(7),3,5-trien-4-ol?
The canonical SMILES for 1-methyl-11-(3-methylbut-2-enyl)-11-azatricyclo[7.4.1.02,7]tetradeca-2(7),3,5-trien-4-ol is CC(C)=CCN1CCC2(C)CC(Cc3ccc(O)cc32)C1.
What is the InChIKey of 1-methyl-11-(3-methylbut-2-enyl)-11-azatricyclo[7.4.1.02,7]tetradeca-2(7),3,5-trien-4-ol?
The InChIKey is XPOYGMHBFOQXFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO/c1-14(2)6-8-20-9-7-19(3)12-15(13-20)10-16-4-5-17(21)11-18(16)19/h4-6,11,15,21H,7-10,12-13H2,1-3H3.
What are the key properties of 1-methyl-11-(3-methylbut-2-enyl)-11-azatricyclo[7.4.1.02,7]tetradeca-2(7),3,5-trien-4-ol?
1-methyl-11-(3-methylbut-2-enyl)-11-azatricyclo[7.4.1.02,7]tetradeca-2(7),3,5-trien-4-ol has a molecular weight of 285.43 g/mol, XLogP of 3.88, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-11-(3-methylbut-2-enyl)-11-azatricyclo[7.4.1.02,7]tetradeca-2(7),3,5-trien-4-ol is sourced from PubChem (CID 70636548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).