1-(2,6-dimethylcyclohexen-1-yl)azetidine

C11H19N — CID 15686732

IUPAC1-(2,6-dimethylcyclohexen-1-yl)azetidine
SMILESCC1=C(N2CCC2)C(C)CCC1
InChIInChI=1S/C11H19N/c1-9-5-3-6-10(2)11(9)12-7-4-8-12/h9H,3-8H2,1-2H3
InChIKeyFOFPQRFDEGSWCD-UHFFFAOYSA-N
MW165.28 g/mol
LogP2.79
Rot. Bonds1

About 1-(2,6-dimethylcyclohexen-1-yl)azetidine

1-(2,6-dimethylcyclohexen-1-yl)azetidine (PubChem CID 15686732) has the molecular formula C11H19N and a molecular weight of 165.28 g/mol. Its IUPAC name is 1-(2,6-dimethylcyclohexen-1-yl)azetidine.

Molecular Properties

Compound Name1-(2,6-dimethylcyclohexen-1-yl)azetidine
PubChem CID15686732
Molecular FormulaC11H19N
Molecular Weight165.28 g/mol
Exact Mass165.15
IUPAC Name1-(2,6-dimethylcyclohexen-1-yl)azetidine
SMILESCC1=C(N2CCC2)C(C)CCC1
InChIInChI=1S/C11H19N/c1-9-5-3-6-10(2)11(9)12-7-4-8-12/h9H,3-8H2,1-2H3
InChIKeyFOFPQRFDEGSWCD-UHFFFAOYSA-N
XLogP2.79
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.28
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,6-Dimethylcyclohexen-1-yl)pyrrolidine
CID 100947708
5,6-ditert-butyl-1,3-dimethyl-3,4-dihydro-2H-pyridine
CID 23402532
5,6-ditert-butyl-1,2-dimethyl-3,4-dihydro-2H-pyridine
CID 23592079
1-Ethyl-2,2,4-trimethyl-5,6-di(propan-2-yl)-3,4-dihydropyridine
CID 58291530
1-methyl-5,6-di(propan-2-yl)-3,4-dihydro-2H-pyridine
CID 59339009
1,5,6-Triethyl-2,2,4-trimethyl-3,4-dihydropyridine
CID 68318647
1-Ethyl-2,2,4,6-tetramethyl-5-propan-2-yl-3,4-dihydropyridine
CID 70861971
1,6-Diethyl-2,2,4,5-tetramethyl-3,4-dihydropyridine
CID 90775473
1-Ethyl-2,2,4,5,6-pentamethyl-3,4-dihydropyridine
CID 117882828
1,3,5,6-tetramethyl-3,4-dihydro-2H-pyridine
CID 137423387
3-(2-Methylidenepentyl)-1-prop-1-en-2-ylazetidine
CID 138501995
1-butan-2-yl-6-butyl-3,5-dimethyl-3,4-dihydro-2H-pyridine
CID 139398798

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethylcyclohexen-1-yl)azetidine?
The IUPAC name of 1-(2,6-dimethylcyclohexen-1-yl)azetidine (CID 15686732) is 1-(2,6-dimethylcyclohexen-1-yl)azetidine.
What is the SMILES notation for 1-(2,6-dimethylcyclohexen-1-yl)azetidine?
The canonical SMILES for 1-(2,6-dimethylcyclohexen-1-yl)azetidine is CC1=C(N2CCC2)C(C)CCC1.
What is the InChIKey of 1-(2,6-dimethylcyclohexen-1-yl)azetidine?
The InChIKey is FOFPQRFDEGSWCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N/c1-9-5-3-6-10(2)11(9)12-7-4-8-12/h9H,3-8H2,1-2H3.
What are the key properties of 1-(2,6-dimethylcyclohexen-1-yl)azetidine?
1-(2,6-dimethylcyclohexen-1-yl)azetidine has a molecular weight of 165.28 g/mol, XLogP of 2.79, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethylcyclohexen-1-yl)azetidine is sourced from PubChem (CID 15686732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).