N-methyl-4-[4-[methyl(oxido)azaniumyl]cyclohexyl]oxycyclohex-2-en-1-amine oxide

C14H26N2O3 — CID 163635555

IUPACN-methyl-4-[4-[methyl(oxido)azaniumyl]cyclohexyl]oxycyclohex-2-en-1-amine oxide
SMILESC[NH+]([O-])C1C=CC(OC2CCC([NH+](C)[O-])CC2)CC1
InChIInChI=1S/C14H26N2O3/c1-15(17)11-3-7-13(8-4-11)19-14-9-5-12(6-10-14)16(2)18/h3,7,11-16H,4-6,8-10H2,1-2H3
InChIKeyHZUCIKGRIKJRJM-UHFFFAOYSA-N
MW270.37 g/mol
LogP-0.57
Rot. Bonds4

About N-methyl-4-[4-[methyl(oxido)azaniumyl]cyclohexyl]oxycyclohex-2-en-1-amine oxide

N-methyl-4-[4-[methyl(oxido)azaniumyl]cyclohexyl]oxycyclohex-2-en-1-amine oxide (PubChem CID 163635555) has the molecular formula C14H26N2O3 and a molecular weight of 270.37 g/mol. Its IUPAC name is N-methyl-4-[4-[methyl(oxido)azaniumyl]cyclohexyl]oxycyclohex-2-en-1-amine oxide.

Molecular Properties

Compound NameN-methyl-4-[4-[methyl(oxido)azaniumyl]cyclohexyl]oxycyclohex-2-en-1-amine oxide
PubChem CID163635555
Molecular FormulaC14H26N2O3
Molecular Weight270.37 g/mol
Exact Mass270.19
IUPAC NameN-methyl-4-[4-[methyl(oxido)azaniumyl]cyclohexyl]oxycyclohex-2-en-1-amine oxide
SMILESC[NH+]([O-])C1C=CC(OC2CCC([NH+](C)[O-])CC2)CC1
InChIInChI=1S/C14H26N2O3/c1-15(17)11-3-7-13(8-4-11)19-14-9-5-12(6-10-14)16(2)18/h3,7,11-16H,4-6,8-10H2,1-2H3
InChIKeyHZUCIKGRIKJRJM-UHFFFAOYSA-N
XLogP-0.57
TPSA64.23 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 5-0.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-methyl-4-[4-[methyl(oxido)azaniumyl]cyclohexyl]oxycyclohex-2-en-1-amine oxide with MolForge

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

Launch Full Analysis

Related Compounds

N-[4-[(4-methoxycyclohex-2-en-1-yl)amino]cyclohex-2-en-1-yl]oxymethanamine oxide
CID 164067664
4-cyclohex-2-en-1-yloxy-N-propylcyclohexan-1-amine
CID 113608987
4-cyclohex-2-en-1-yloxy-N-methylcyclohexan-1-amine
CID 114619947
4-cyclohex-2-en-1-yloxy-N-ethylcyclohexan-1-amine
CID 114619948
N-methyl-4-[4-[methyl(oxido)amino]cyclohexyl]oxy-N-oxidocyclohex-2-en-1-amine
CID 163635556
4-methoxy-N-[4-[methyl(oxido)amino]oxycyclohex-2-en-1-yl]cyclohex-2-en-1-amine
CID 164067665

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[4-[methyl(oxido)azaniumyl]cyclohexyl]oxycyclohex-2-en-1-amine oxide?
The IUPAC name of N-methyl-4-[4-[methyl(oxido)azaniumyl]cyclohexyl]oxycyclohex-2-en-1-amine oxide (CID 163635555) is N-methyl-4-[4-[methyl(oxido)azaniumyl]cyclohexyl]oxycyclohex-2-en-1-amine oxide.
What is the SMILES notation for N-methyl-4-[4-[methyl(oxido)azaniumyl]cyclohexyl]oxycyclohex-2-en-1-amine oxide?
The canonical SMILES for N-methyl-4-[4-[methyl(oxido)azaniumyl]cyclohexyl]oxycyclohex-2-en-1-amine oxide is C[NH+]([O-])C1C=CC(OC2CCC([NH+](C)[O-])CC2)CC1.
What is the InChIKey of N-methyl-4-[4-[methyl(oxido)azaniumyl]cyclohexyl]oxycyclohex-2-en-1-amine oxide?
The InChIKey is HZUCIKGRIKJRJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O3/c1-15(17)11-3-7-13(8-4-11)19-14-9-5-12(6-10-14)16(2)18/h3,7,11-16H,4-6,8-10H2,1-2H3.
What are the key properties of N-methyl-4-[4-[methyl(oxido)azaniumyl]cyclohexyl]oxycyclohex-2-en-1-amine oxide?
N-methyl-4-[4-[methyl(oxido)azaniumyl]cyclohexyl]oxycyclohex-2-en-1-amine oxide has a molecular weight of 270.37 g/mol, XLogP of -0.57, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[4-[methyl(oxido)azaniumyl]cyclohexyl]oxycyclohex-2-en-1-amine oxide is sourced from PubChem (CID 163635555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).