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

Related Compounds

3-Methyl-13-methylidene-3-azabicyclo[7.3.1]trideca-9,11-diene
CID 10608234
(7Z)-2-methyl-1,3,4,5,6,11a-hexahydro-2-benzazonine
CID 14004187
(7E)-2,8-dimethyl-1,3,4,5,6,11a-hexahydro-2-benzazonine
CID 14004189
(7Z)-2,10-dimethyl-1,3,4,5,6,11a-hexahydro-2-benzazonine
CID 14004190
4,7-Dihydro-N,N-dimethyl-1-indanpropylamine
CID 22758136
8-Ethyl-8-azatricyclo[8.3.1.12,6]pentadeca-3,5,10,12-tetraene
CID 53770883
2,3-Dimethyl-1,3,4,4b,8a,9-hexahydroindeno[2,1-c]pyridine
CID 57901447
2-Methyl-6-propan-2-yl-1,3,4,5-tetrahydrocyclopenta[c]pyridine
CID 58179937
1-[[2-methyl-3-[(Z)-prop-1-enyl]cyclohex-2-en-1-yl]methyl]piperidine
CID 68334711
3-(cyclohexa-2,4-dien-1-ylmethyl)-N-ethyl-N-methylpentan-1-amine
CID 68374113
1-Methyl-4-[(3-methylcyclohexa-1,3-dien-1-yl)methyl]piperidine
CID 68375336
N,N,2-trimethyl-3-(8-tricyclo[9.4.0.02,7]pentadeca-1,4,6,8,10,12,14-heptaenyl)propan-1-amine
CID 87783883

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).