13,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-trien-1-ol

C14H19NO — CID 58123800

IUPAC13,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-trien-1-ol
SMILESCC1(C)C2Cc3ccccc3C1(O)CCN2
InChIInChI=1S/C14H19NO/c1-13(2)12-9-10-5-3-4-6-11(10)14(13,16)7-8-15-12/h3-6,12,15-16H,7-9H2,1-2H3
InChIKeyMOFIILTWICHZMR-UHFFFAOYSA-N
MW217.31 g/mol
LogP1.82
Rot. Bonds

About 13,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-trien-1-ol

13,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-trien-1-ol (PubChem CID 58123800) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is 13,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-trien-1-ol.

Molecular Properties

Compound Name13,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-trien-1-ol
PubChem CID58123800
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC Name13,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-trien-1-ol
SMILESCC1(C)C2Cc3ccccc3C1(O)CCN2
InChIInChI=1S/C14H19NO/c1-13(2)12-9-10-5-3-4-6-11(10)14(13,16)7-8-15-12/h3-6,12,15-16H,7-9H2,1-2H3
InChIKeyMOFIILTWICHZMR-UHFFFAOYSA-N
XLogP1.82
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 13,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-trien-1-ol with MolForge

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

Launch Full Analysis

Related Compounds

ethane;(1S,9R)-1,13,13-trimethyl-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-triene
CID 54557495
(1S,9R,10S,13S)-13-methyl-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2,4,6-trien-10-ol
CID 143689032
(9S)-1,13,13-trimethyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-6-ol
CID 67456029
(1S,9R)-17-azapentacyclo[7.5.3.210,13.01,10.02,7]nonadeca-2,4,6-triene
CID 90259681
2-(1-methyl-2,3-dihydroinden-1-yl)pyrrolidine
CID 122502681
(1R,9S,10S)-4-methoxy-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-10-ol
CID 15971096
(1S,9R)-4-methoxy-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2(7),3,5-trien-10-ol
CID 131964401
2-methylspiro[1,2-dihydroindene-3,4'-piperidine]
CID 176678074
(3aR,9aR)-3a,4,4-trimethyl-2,3,9,9a-tetrahydro-1H-benzo[f]indol-8-ol;hydrobromide
CID 69338364
(9R)-1,13,13-trimethyl-6-methylsulfonyl-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-triene
CID 126493420
1-[(1R,9R,10S)-13-methoxy-17-azapentacyclo[7.5.3.210,13.01,10.02,7]nonadeca-2,4,6,18-tetraen-12-yl]ethanol
CID 169082177
3-(2,3-dihydro-1H-indol-2-yl)pyrrolidin-3-ol
CID 65042492

Frequently Asked Questions

What is the IUPAC name of 13,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-trien-1-ol?
The IUPAC name of 13,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-trien-1-ol (CID 58123800) is 13,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-trien-1-ol.
What is the SMILES notation for 13,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-trien-1-ol?
The canonical SMILES for 13,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-trien-1-ol is CC1(C)C2Cc3ccccc3C1(O)CCN2.
What is the InChIKey of 13,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-trien-1-ol?
The InChIKey is MOFIILTWICHZMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c1-13(2)12-9-10-5-3-4-6-11(10)14(13,16)7-8-15-12/h3-6,12,15-16H,7-9H2,1-2H3.
What are the key properties of 13,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-trien-1-ol?
13,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-trien-1-ol has a molecular weight of 217.31 g/mol, XLogP of 1.82, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 13,13-dimethyl-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-trien-1-ol is sourced from PubChem (CID 58123800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).