6-methyl-3-azabicyclo[3.3.1]non-6-ene

C9H15N — CID 71325236

IUPAC6-methyl-3-azabicyclo[3.3.1]non-6-ene
SMILESCC1=CCC2CNCC1C2
InChIInChI=1S/C9H15N/c1-7-2-3-8-4-9(7)6-10-5-8/h2,8-10H,3-6H2,1H3
InChIKeyFVQCMRVXEMXVMA-UHFFFAOYSA-N
MW137.23 g/mol
LogP1.56
Rot. Bonds

About 6-methyl-3-azabicyclo[3.3.1]non-6-ene

6-methyl-3-azabicyclo[3.3.1]non-6-ene (PubChem CID 71325236) has the molecular formula C9H15N and a molecular weight of 137.23 g/mol. Its IUPAC name is 6-methyl-3-azabicyclo[3.3.1]non-6-ene.

Molecular Properties

Compound Name6-methyl-3-azabicyclo[3.3.1]non-6-ene
PubChem CID71325236
Molecular FormulaC9H15N
Molecular Weight137.23 g/mol
Exact Mass137.12
IUPAC Name6-methyl-3-azabicyclo[3.3.1]non-6-ene
SMILESCC1=CCC2CNCC1C2
InChIInChI=1S/C9H15N/c1-7-2-3-8-4-9(7)6-10-5-8/h2,8-10H,3-6H2,1H3
InChIKeyFVQCMRVXEMXVMA-UHFFFAOYSA-N
XLogP1.56
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.23
LogP ≤ 51.56
H-Bond Donors ≤ 51
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 6-methyl-3-azabicyclo[3.3.1]non-6-ene?
The IUPAC name of 6-methyl-3-azabicyclo[3.3.1]non-6-ene (CID 71325236) is 6-methyl-3-azabicyclo[3.3.1]non-6-ene.
What is the SMILES notation for 6-methyl-3-azabicyclo[3.3.1]non-6-ene?
The canonical SMILES for 6-methyl-3-azabicyclo[3.3.1]non-6-ene is CC1=CCC2CNCC1C2.
What is the InChIKey of 6-methyl-3-azabicyclo[3.3.1]non-6-ene?
The InChIKey is FVQCMRVXEMXVMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N/c1-7-2-3-8-4-9(7)6-10-5-8/h2,8-10H,3-6H2,1H3.
What are the key properties of 6-methyl-3-azabicyclo[3.3.1]non-6-ene?
6-methyl-3-azabicyclo[3.3.1]non-6-ene has a molecular weight of 137.23 g/mol, XLogP of 1.56, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-azabicyclo[3.3.1]non-6-ene is sourced from PubChem (CID 71325236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).