5-methylidene-3-(4-methylphenyl)-7-azatricyclo[5.3.0.04,8]decane

C17H21N — CID 15405849

IUPAC5-methylidene-3-(4-methylphenyl)-7-azatricyclo[5.3.0.04,8]decane
SMILESC=C1CN2C3CCC2C1C(c1ccc(C)cc1)C3
InChIInChI=1S/C17H21N/c1-11-3-5-13(6-4-11)15-9-14-7-8-16-17(15)12(2)10-18(14)16/h3-6,14-17H,2,7-10H2,1H3
InChIKeyBMNNHOAPHMYHIH-UHFFFAOYSA-N
MW239.36 g/mol
LogP3.50
Rot. Bonds1

About 5-methylidene-3-(4-methylphenyl)-7-azatricyclo[5.3.0.04,8]decane

5-methylidene-3-(4-methylphenyl)-7-azatricyclo[5.3.0.04,8]decane (PubChem CID 15405849) has the molecular formula C17H21N and a molecular weight of 239.36 g/mol. Its IUPAC name is 5-methylidene-3-(4-methylphenyl)-7-azatricyclo[5.3.0.04,8]decane.

Molecular Properties

Compound Name5-methylidene-3-(4-methylphenyl)-7-azatricyclo[5.3.0.04,8]decane
PubChem CID15405849
Molecular FormulaC17H21N
Molecular Weight239.36 g/mol
Exact Mass239.17
IUPAC Name5-methylidene-3-(4-methylphenyl)-7-azatricyclo[5.3.0.04,8]decane
SMILESC=C1CN2C3CCC2C1C(c1ccc(C)cc1)C3
InChIInChI=1S/C17H21N/c1-11-3-5-13(6-4-11)15-9-14-7-8-16-17(15)12(2)10-18(14)16/h3-6,14-17H,2,7-10H2,1H3
InChIKeyBMNNHOAPHMYHIH-UHFFFAOYSA-N
XLogP3.50
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 53.50
H-Bond Donors ≤ 50
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 5-methylidene-3-(4-methylphenyl)-7-azatricyclo[5.3.0.04,8]decane?
The IUPAC name of 5-methylidene-3-(4-methylphenyl)-7-azatricyclo[5.3.0.04,8]decane (CID 15405849) is 5-methylidene-3-(4-methylphenyl)-7-azatricyclo[5.3.0.04,8]decane.
What is the SMILES notation for 5-methylidene-3-(4-methylphenyl)-7-azatricyclo[5.3.0.04,8]decane?
The canonical SMILES for 5-methylidene-3-(4-methylphenyl)-7-azatricyclo[5.3.0.04,8]decane is C=C1CN2C3CCC2C1C(c1ccc(C)cc1)C3.
What is the InChIKey of 5-methylidene-3-(4-methylphenyl)-7-azatricyclo[5.3.0.04,8]decane?
The InChIKey is BMNNHOAPHMYHIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N/c1-11-3-5-13(6-4-11)15-9-14-7-8-16-17(15)12(2)10-18(14)16/h3-6,14-17H,2,7-10H2,1H3.
What are the key properties of 5-methylidene-3-(4-methylphenyl)-7-azatricyclo[5.3.0.04,8]decane?
5-methylidene-3-(4-methylphenyl)-7-azatricyclo[5.3.0.04,8]decane has a molecular weight of 239.36 g/mol, XLogP of 3.50, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylidene-3-(4-methylphenyl)-7-azatricyclo[5.3.0.04,8]decane is sourced from PubChem (CID 15405849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).