N-methyl-4-[4-[methyl(oxido)amino]cyclohexyl]oxy-N-oxidocyclohex-2-en-1-amine

C14H24N2O3-2 — CID 163635556

IUPACN-methyl-4-[4-[methyl(oxido)amino]cyclohexyl]oxy-N-oxidocyclohex-2-en-1-amine
SMILESCN([O-])C1C=CC(OC2CCC(N(C)[O-])CC2)CC1
InChIInChI=1S/C14H24N2O3/c1-15(17)11-3-7-13(8-4-11)19-14-9-5-12(6-10-14)16(2)18/h3,7,11-14H,4-6,8-10H2,1-2H3/q-2
InChIKeyWBPCUQSUELSYQG-UHFFFAOYSA-N
MW268.36 g/mol
LogP2.26
Rot. Bonds4

About N-methyl-4-[4-[methyl(oxido)amino]cyclohexyl]oxy-N-oxidocyclohex-2-en-1-amine

N-methyl-4-[4-[methyl(oxido)amino]cyclohexyl]oxy-N-oxidocyclohex-2-en-1-amine (PubChem CID 163635556) has the molecular formula C14H24N2O3-2 and a molecular weight of 268.36 g/mol. Its IUPAC name is N-methyl-4-[4-[methyl(oxido)amino]cyclohexyl]oxy-N-oxidocyclohex-2-en-1-amine.

Molecular Properties

Compound NameN-methyl-4-[4-[methyl(oxido)amino]cyclohexyl]oxy-N-oxidocyclohex-2-en-1-amine
PubChem CID163635556
Molecular FormulaC14H24N2O3-2
Molecular Weight268.36 g/mol
Exact Mass268.18
IUPAC NameN-methyl-4-[4-[methyl(oxido)amino]cyclohexyl]oxy-N-oxidocyclohex-2-en-1-amine
SMILESCN([O-])C1C=CC(OC2CCC(N(C)[O-])CC2)CC1
InChIInChI=1S/C14H24N2O3/c1-15(17)11-3-7-13(8-4-11)19-14-9-5-12(6-10-14)16(2)18/h3,7,11-14H,4-6,8-10H2,1-2H3/q-2
InChIKeyWBPCUQSUELSYQG-UHFFFAOYSA-N
XLogP2.26
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-4-[4-[methyl(oxido)azaniumyl]cyclohexyl]oxycyclohex-2-en-1-amine oxide
CID 163635555

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[4-[methyl(oxido)amino]cyclohexyl]oxy-N-oxidocyclohex-2-en-1-amine?
The IUPAC name of N-methyl-4-[4-[methyl(oxido)amino]cyclohexyl]oxy-N-oxidocyclohex-2-en-1-amine (CID 163635556) is N-methyl-4-[4-[methyl(oxido)amino]cyclohexyl]oxy-N-oxidocyclohex-2-en-1-amine.
What is the SMILES notation for N-methyl-4-[4-[methyl(oxido)amino]cyclohexyl]oxy-N-oxidocyclohex-2-en-1-amine?
The canonical SMILES for N-methyl-4-[4-[methyl(oxido)amino]cyclohexyl]oxy-N-oxidocyclohex-2-en-1-amine is CN([O-])C1C=CC(OC2CCC(N(C)[O-])CC2)CC1.
What is the InChIKey of N-methyl-4-[4-[methyl(oxido)amino]cyclohexyl]oxy-N-oxidocyclohex-2-en-1-amine?
The InChIKey is WBPCUQSUELSYQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O3/c1-15(17)11-3-7-13(8-4-11)19-14-9-5-12(6-10-14)16(2)18/h3,7,11-14H,4-6,8-10H2,1-2H3/q-2.
What are the key properties of N-methyl-4-[4-[methyl(oxido)amino]cyclohexyl]oxy-N-oxidocyclohex-2-en-1-amine?
N-methyl-4-[4-[methyl(oxido)amino]cyclohexyl]oxy-N-oxidocyclohex-2-en-1-amine has a molecular weight of 268.36 g/mol, XLogP of 2.26, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[4-[methyl(oxido)amino]cyclohexyl]oxy-N-oxidocyclohex-2-en-1-amine is sourced from PubChem (CID 163635556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).