methylcyclohexane;8-oxa-3-azabicyclo[3.2.1]octane

C13H25NO — CID 143189759

IUPACmethylcyclohexane;8-oxa-3-azabicyclo[3.2.1]octane
SMILESC1CC2CNCC1O2.CC1CCCCC1
InChIInChI=1S/C7H14.C6H11NO/c1-7-5-3-2-4-6-7;1-2-6-4-7-3-5(1)8-6/h7H,2-6H2,1H3;5-7H,1-4H2
InChIKeyPJPKDMUPDFSAIC-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.72
Rot. Bonds

About methylcyclohexane;8-oxa-3-azabicyclo[3.2.1]octane

methylcyclohexane;8-oxa-3-azabicyclo[3.2.1]octane (PubChem CID 143189759) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is methylcyclohexane;8-oxa-3-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Namemethylcyclohexane;8-oxa-3-azabicyclo[3.2.1]octane
PubChem CID143189759
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Namemethylcyclohexane;8-oxa-3-azabicyclo[3.2.1]octane
SMILESC1CC2CNCC1O2.CC1CCCCC1
InChIInChI=1S/C7H14.C6H11NO/c1-7-5-3-2-4-6-7;1-2-6-4-7-3-5(1)8-6/h7H,2-6H2,1H3;5-7H,1-4H2
InChIKeyPJPKDMUPDFSAIC-UHFFFAOYSA-N
XLogP2.72
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze methylcyclohexane;8-oxa-3-azabicyclo[3.2.1]octane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methylcyclohexane;8-oxa-3-azabicyclo[3.2.1]octane?
The IUPAC name of methylcyclohexane;8-oxa-3-azabicyclo[3.2.1]octane (CID 143189759) is methylcyclohexane;8-oxa-3-azabicyclo[3.2.1]octane.
What is the SMILES notation for methylcyclohexane;8-oxa-3-azabicyclo[3.2.1]octane?
The canonical SMILES for methylcyclohexane;8-oxa-3-azabicyclo[3.2.1]octane is C1CC2CNCC1O2.CC1CCCCC1.
What is the InChIKey of methylcyclohexane;8-oxa-3-azabicyclo[3.2.1]octane?
The InChIKey is PJPKDMUPDFSAIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14.C6H11NO/c1-7-5-3-2-4-6-7;1-2-6-4-7-3-5(1)8-6/h7H,2-6H2,1H3;5-7H,1-4H2.
What are the key properties of methylcyclohexane;8-oxa-3-azabicyclo[3.2.1]octane?
methylcyclohexane;8-oxa-3-azabicyclo[3.2.1]octane has a molecular weight of 211.35 g/mol, XLogP of 2.72, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methylcyclohexane;8-oxa-3-azabicyclo[3.2.1]octane is sourced from PubChem (CID 143189759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).