8-methyl-2-azabicyclo[4.4.1]undeca-1(10),6,8-triene

C11H15N — CID 145352283

IUPAC8-methyl-2-azabicyclo[4.4.1]undeca-1(10),6,8-triene
SMILESCC1=CC=C2CC(=C1)CCCN2
InChIInChI=1S/C11H15N/c1-9-4-5-11-8-10(7-9)3-2-6-12-11/h4-5,7,12H,2-3,6,8H2,1H3
InChIKeyRPRLQYBFNJYTDC-UHFFFAOYSA-N
MW161.25 g/mol
LogP2.53
Rot. Bonds

About 8-methyl-2-azabicyclo[4.4.1]undeca-1(10),6,8-triene

8-methyl-2-azabicyclo[4.4.1]undeca-1(10),6,8-triene (PubChem CID 145352283) has the molecular formula C11H15N and a molecular weight of 161.25 g/mol. Its IUPAC name is 8-methyl-2-azabicyclo[4.4.1]undeca-1(10),6,8-triene.

Molecular Properties

Compound Name8-methyl-2-azabicyclo[4.4.1]undeca-1(10),6,8-triene
PubChem CID145352283
Molecular FormulaC11H15N
Molecular Weight161.25 g/mol
Exact Mass161.12
IUPAC Name8-methyl-2-azabicyclo[4.4.1]undeca-1(10),6,8-triene
SMILESCC1=CC=C2CC(=C1)CCCN2
InChIInChI=1S/C11H15N/c1-9-4-5-11-8-10(7-9)3-2-6-12-11/h4-5,7,12H,2-3,6,8H2,1H3
InChIKeyRPRLQYBFNJYTDC-UHFFFAOYSA-N
XLogP2.53
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.25
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-2-azabicyclo[4.4.1]undeca-1(10),6,8-triene?
The IUPAC name of 8-methyl-2-azabicyclo[4.4.1]undeca-1(10),6,8-triene (CID 145352283) is 8-methyl-2-azabicyclo[4.4.1]undeca-1(10),6,8-triene.
What is the SMILES notation for 8-methyl-2-azabicyclo[4.4.1]undeca-1(10),6,8-triene?
The canonical SMILES for 8-methyl-2-azabicyclo[4.4.1]undeca-1(10),6,8-triene is CC1=CC=C2CC(=C1)CCCN2.
What is the InChIKey of 8-methyl-2-azabicyclo[4.4.1]undeca-1(10),6,8-triene?
The InChIKey is RPRLQYBFNJYTDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N/c1-9-4-5-11-8-10(7-9)3-2-6-12-11/h4-5,7,12H,2-3,6,8H2,1H3.
What are the key properties of 8-methyl-2-azabicyclo[4.4.1]undeca-1(10),6,8-triene?
8-methyl-2-azabicyclo[4.4.1]undeca-1(10),6,8-triene has a molecular weight of 161.25 g/mol, XLogP of 2.53, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-2-azabicyclo[4.4.1]undeca-1(10),6,8-triene is sourced from PubChem (CID 145352283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).