6-methyl-1-azacycloundec-6-ene

C11H21N — CID 123745705

IUPAC6-methyl-1-azacycloundec-6-ene
SMILESCC1=CCCCCNCCCC1
InChIInChI=1S/C11H21N/c1-11-7-3-2-5-9-12-10-6-4-8-11/h7,12H,2-6,8-10H2,1H3
InChIKeyHVHFKJIEWAGYKN-UHFFFAOYSA-N
MW167.30 g/mol
LogP2.88
Rot. Bonds

About 6-methyl-1-azacycloundec-6-ene

6-methyl-1-azacycloundec-6-ene (PubChem CID 123745705) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is 6-methyl-1-azacycloundec-6-ene.

Molecular Properties

Compound Name6-methyl-1-azacycloundec-6-ene
PubChem CID123745705
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC Name6-methyl-1-azacycloundec-6-ene
SMILESCC1=CCCCCNCCCC1
InChIInChI=1S/C11H21N/c1-11-7-3-2-5-9-12-10-6-4-8-11/h7,12H,2-6,8-10H2,1H3
InChIKeyHVHFKJIEWAGYKN-UHFFFAOYSA-N
XLogP2.88
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.30
LogP ≤ 52.88
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-1-azacycloundec-6-ene?
The IUPAC name of 6-methyl-1-azacycloundec-6-ene (CID 123745705) is 6-methyl-1-azacycloundec-6-ene.
What is the SMILES notation for 6-methyl-1-azacycloundec-6-ene?
The canonical SMILES for 6-methyl-1-azacycloundec-6-ene is CC1=CCCCCNCCCC1.
What is the InChIKey of 6-methyl-1-azacycloundec-6-ene?
The InChIKey is HVHFKJIEWAGYKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N/c1-11-7-3-2-5-9-12-10-6-4-8-11/h7,12H,2-6,8-10H2,1H3.
What are the key properties of 6-methyl-1-azacycloundec-6-ene?
6-methyl-1-azacycloundec-6-ene has a molecular weight of 167.30 g/mol, XLogP of 2.88, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1-azacycloundec-6-ene is sourced from PubChem (CID 123745705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).