11,11-dimethyl-13-methylidene-10-azatricyclo[7.5.1.05,15]pentadeca-1,3,5(15),6,8-pentaene

C17H19N — CID 134385979

IUPAC11,11-dimethyl-13-methylidene-10-azatricyclo[7.5.1.05,15]pentadeca-1,3,5(15),6,8-pentaene
SMILESC=C1Cc2cccc3cccc(c23)NC(C)(C)C1
InChIInChI=1S/C17H19N/c1-12-10-14-8-4-6-13-7-5-9-15(16(13)14)18-17(2,3)11-12/h4-9,18H,1,10-11H2,2-3H3
InChIKeyXDNVJUSFKZRMBA-UHFFFAOYSA-N
MW237.35 g/mol
LogP4.53
Rot. Bonds

About 11,11-dimethyl-13-methylidene-10-azatricyclo[7.5.1.05,15]pentadeca-1,3,5(15),6,8-pentaene

11,11-dimethyl-13-methylidene-10-azatricyclo[7.5.1.05,15]pentadeca-1,3,5(15),6,8-pentaene (PubChem CID 134385979) has the molecular formula C17H19N and a molecular weight of 237.35 g/mol. Its IUPAC name is 11,11-dimethyl-13-methylidene-10-azatricyclo[7.5.1.05,15]pentadeca-1,3,5(15),6,8-pentaene.

Molecular Properties

Compound Name11,11-dimethyl-13-methylidene-10-azatricyclo[7.5.1.05,15]pentadeca-1,3,5(15),6,8-pentaene
PubChem CID134385979
Molecular FormulaC17H19N
Molecular Weight237.35 g/mol
Exact Mass237.15
IUPAC Name11,11-dimethyl-13-methylidene-10-azatricyclo[7.5.1.05,15]pentadeca-1,3,5(15),6,8-pentaene
SMILESC=C1Cc2cccc3cccc(c23)NC(C)(C)C1
InChIInChI=1S/C17H19N/c1-12-10-14-8-4-6-13-7-5-9-15(16(13)14)18-17(2,3)11-12/h4-9,18H,1,10-11H2,2-3H3
InChIKeyXDNVJUSFKZRMBA-UHFFFAOYSA-N
XLogP4.53
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 11,11-dimethyl-13-methylidene-10-azatricyclo[7.5.1.05,15]pentadeca-1,3,5(15),6,8-pentaene?
The IUPAC name of 11,11-dimethyl-13-methylidene-10-azatricyclo[7.5.1.05,15]pentadeca-1,3,5(15),6,8-pentaene (CID 134385979) is 11,11-dimethyl-13-methylidene-10-azatricyclo[7.5.1.05,15]pentadeca-1,3,5(15),6,8-pentaene.
What is the SMILES notation for 11,11-dimethyl-13-methylidene-10-azatricyclo[7.5.1.05,15]pentadeca-1,3,5(15),6,8-pentaene?
The canonical SMILES for 11,11-dimethyl-13-methylidene-10-azatricyclo[7.5.1.05,15]pentadeca-1,3,5(15),6,8-pentaene is C=C1Cc2cccc3cccc(c23)NC(C)(C)C1.
What is the InChIKey of 11,11-dimethyl-13-methylidene-10-azatricyclo[7.5.1.05,15]pentadeca-1,3,5(15),6,8-pentaene?
The InChIKey is XDNVJUSFKZRMBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N/c1-12-10-14-8-4-6-13-7-5-9-15(16(13)14)18-17(2,3)11-12/h4-9,18H,1,10-11H2,2-3H3.
What are the key properties of 11,11-dimethyl-13-methylidene-10-azatricyclo[7.5.1.05,15]pentadeca-1,3,5(15),6,8-pentaene?
11,11-dimethyl-13-methylidene-10-azatricyclo[7.5.1.05,15]pentadeca-1,3,5(15),6,8-pentaene has a molecular weight of 237.35 g/mol, XLogP of 4.53, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 11,11-dimethyl-13-methylidene-10-azatricyclo[7.5.1.05,15]pentadeca-1,3,5(15),6,8-pentaene is sourced from PubChem (CID 134385979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).