3-methyl-13-methylidene-3-azabicyclo[7.3.1]trideca-9,11-diene

C14H21N — CID 10608234

IUPAC3-methyl-13-methylidene-3-azabicyclo[7.3.1]trideca-9,11-diene
SMILESC=C1C2=CC=CC1CN(C)CCCCC2
InChIInChI=1S/C14H21N/c1-12-13-7-4-3-5-10-15(2)11-14(12)9-6-8-13/h6,8-9,14H,1,3-5,7,10-11H2,2H3
InChIKeyKSVAINSBUTVSBY-UHFFFAOYSA-N
MW203.33 g/mol
LogP3.16
Rot. Bonds

About 3-methyl-13-methylidene-3-azabicyclo[7.3.1]trideca-9,11-diene

3-methyl-13-methylidene-3-azabicyclo[7.3.1]trideca-9,11-diene (PubChem CID 10608234) has the molecular formula C14H21N and a molecular weight of 203.33 g/mol. Its IUPAC name is 3-methyl-13-methylidene-3-azabicyclo[7.3.1]trideca-9,11-diene.

Molecular Properties

Compound Name3-methyl-13-methylidene-3-azabicyclo[7.3.1]trideca-9,11-diene
PubChem CID10608234
Molecular FormulaC14H21N
Molecular Weight203.33 g/mol
Exact Mass203.17
IUPAC Name3-methyl-13-methylidene-3-azabicyclo[7.3.1]trideca-9,11-diene
SMILESC=C1C2=CC=CC1CN(C)CCCCC2
InChIInChI=1S/C14H21N/c1-12-13-7-4-3-5-10-15(2)11-14(12)9-6-8-13/h6,8-9,14H,1,3-5,7,10-11H2,2H3
InChIKeyKSVAINSBUTVSBY-UHFFFAOYSA-N
XLogP3.16
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-13-methylidene-3-azabicyclo[7.3.1]trideca-9,11-diene?
The IUPAC name of 3-methyl-13-methylidene-3-azabicyclo[7.3.1]trideca-9,11-diene (CID 10608234) is 3-methyl-13-methylidene-3-azabicyclo[7.3.1]trideca-9,11-diene.
What is the SMILES notation for 3-methyl-13-methylidene-3-azabicyclo[7.3.1]trideca-9,11-diene?
The canonical SMILES for 3-methyl-13-methylidene-3-azabicyclo[7.3.1]trideca-9,11-diene is C=C1C2=CC=CC1CN(C)CCCCC2.
What is the InChIKey of 3-methyl-13-methylidene-3-azabicyclo[7.3.1]trideca-9,11-diene?
The InChIKey is KSVAINSBUTVSBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N/c1-12-13-7-4-3-5-10-15(2)11-14(12)9-6-8-13/h6,8-9,14H,1,3-5,7,10-11H2,2H3.
What are the key properties of 3-methyl-13-methylidene-3-azabicyclo[7.3.1]trideca-9,11-diene?
3-methyl-13-methylidene-3-azabicyclo[7.3.1]trideca-9,11-diene has a molecular weight of 203.33 g/mol, XLogP of 3.16, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-13-methylidene-3-azabicyclo[7.3.1]trideca-9,11-diene is sourced from PubChem (CID 10608234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).