3-methyl-12-methylidene-3-azabicyclo[6.3.1]dodeca-8,10-diene

C13H19N — CID 10487897

IUPAC3-methyl-12-methylidene-3-azabicyclo[6.3.1]dodeca-8,10-diene
SMILESC=C1C2=CC=CC1CN(C)CCCC2
InChIInChI=1S/C13H19N/c1-11-12-6-3-4-9-14(2)10-13(11)8-5-7-12/h5,7-8,13H,1,3-4,6,9-10H2,2H3
InChIKeyBKCIFYJUXCUDJX-UHFFFAOYSA-N
MW189.30 g/mol
LogP2.77
Rot. Bonds

About 3-methyl-12-methylidene-3-azabicyclo[6.3.1]dodeca-8,10-diene

3-methyl-12-methylidene-3-azabicyclo[6.3.1]dodeca-8,10-diene (PubChem CID 10487897) has the molecular formula C13H19N and a molecular weight of 189.30 g/mol. Its IUPAC name is 3-methyl-12-methylidene-3-azabicyclo[6.3.1]dodeca-8,10-diene.

Molecular Properties

Compound Name3-methyl-12-methylidene-3-azabicyclo[6.3.1]dodeca-8,10-diene
PubChem CID10487897
Molecular FormulaC13H19N
Molecular Weight189.30 g/mol
Exact Mass189.15
IUPAC Name3-methyl-12-methylidene-3-azabicyclo[6.3.1]dodeca-8,10-diene
SMILESC=C1C2=CC=CC1CN(C)CCCC2
InChIInChI=1S/C13H19N/c1-11-12-6-3-4-9-14(2)10-13(11)8-5-7-12/h5,7-8,13H,1,3-4,6,9-10H2,2H3
InChIKeyBKCIFYJUXCUDJX-UHFFFAOYSA-N
XLogP2.77
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 3-methyl-12-methylidene-3-azabicyclo[6.3.1]dodeca-8,10-diene 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 3-methyl-12-methylidene-3-azabicyclo[6.3.1]dodeca-8,10-diene?
The IUPAC name of 3-methyl-12-methylidene-3-azabicyclo[6.3.1]dodeca-8,10-diene (CID 10487897) is 3-methyl-12-methylidene-3-azabicyclo[6.3.1]dodeca-8,10-diene.
What is the SMILES notation for 3-methyl-12-methylidene-3-azabicyclo[6.3.1]dodeca-8,10-diene?
The canonical SMILES for 3-methyl-12-methylidene-3-azabicyclo[6.3.1]dodeca-8,10-diene is C=C1C2=CC=CC1CN(C)CCCC2.
What is the InChIKey of 3-methyl-12-methylidene-3-azabicyclo[6.3.1]dodeca-8,10-diene?
The InChIKey is BKCIFYJUXCUDJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N/c1-11-12-6-3-4-9-14(2)10-13(11)8-5-7-12/h5,7-8,13H,1,3-4,6,9-10H2,2H3.
What are the key properties of 3-methyl-12-methylidene-3-azabicyclo[6.3.1]dodeca-8,10-diene?
3-methyl-12-methylidene-3-azabicyclo[6.3.1]dodeca-8,10-diene has a molecular weight of 189.30 g/mol, XLogP of 2.77, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-12-methylidene-3-azabicyclo[6.3.1]dodeca-8,10-diene is sourced from PubChem (CID 10487897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).