N-methyl-4-[[methyl(oxido)azaniumyl]methyl]cyclohexan-1-amine oxide

C9H20N2O2 — CID 163689503

IUPACN-methyl-4-[[methyl(oxido)azaniumyl]methyl]cyclohexan-1-amine oxide
SMILESC[NH+]([O-])CC1CCC([NH+](C)[O-])CC1
InChIInChI=1S/C9H20N2O2/c1-10(12)7-8-3-5-9(6-4-8)11(2)13/h8-11H,3-7H2,1-2H3
InChIKeyJRSXOPDTBAKRTN-UHFFFAOYSA-N
MW188.27 g/mol
LogP-1.43
Rot. Bonds3

About N-methyl-4-[[methyl(oxido)azaniumyl]methyl]cyclohexan-1-amine oxide

N-methyl-4-[[methyl(oxido)azaniumyl]methyl]cyclohexan-1-amine oxide (PubChem CID 163689503) has the molecular formula C9H20N2O2 and a molecular weight of 188.27 g/mol. Its IUPAC name is N-methyl-4-[[methyl(oxido)azaniumyl]methyl]cyclohexan-1-amine oxide.

Molecular Properties

Compound NameN-methyl-4-[[methyl(oxido)azaniumyl]methyl]cyclohexan-1-amine oxide
PubChem CID163689503
Molecular FormulaC9H20N2O2
Molecular Weight188.27 g/mol
Exact Mass188.15
IUPAC NameN-methyl-4-[[methyl(oxido)azaniumyl]methyl]cyclohexan-1-amine oxide
SMILESC[NH+]([O-])CC1CCC([NH+](C)[O-])CC1
InChIInChI=1S/C9H20N2O2/c1-10(12)7-8-3-5-9(6-4-8)11(2)13/h8-11H,3-7H2,1-2H3
InChIKeyJRSXOPDTBAKRTN-UHFFFAOYSA-N
XLogP-1.43
TPSA55.00 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 5-1.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-hydroxy-4-methylcyclohexan-1-amine oxide
CID 163989448
ethane;ethylcyclopropane
CID 91380076
azane;ethylcyclopropane
CID 20975579
1-(3-cyclopropylpropyl)-2-methylcyclobutane
CID 123311649
1,4-dipropylcyclohexane;pentane
CID 90867354
1-[4-(2-hydroxypropyl)cyclohexyl]propan-2-ol
CID 19387430
hexane;pentylcyclopropane
CID 159592467
4-pentylcyclohexane-1-carboxylate
CID 6993970
1,3-diethylcyclopentane
CID 530396
1-dodecyl-4-pentadecylcyclohexane
CID 123560684
1,4-dihexylcyclohexane
CID 22947938
octadecane;pentadecylcyclopropane
CID 173301851

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[[methyl(oxido)azaniumyl]methyl]cyclohexan-1-amine oxide?
The IUPAC name of N-methyl-4-[[methyl(oxido)azaniumyl]methyl]cyclohexan-1-amine oxide (CID 163689503) is N-methyl-4-[[methyl(oxido)azaniumyl]methyl]cyclohexan-1-amine oxide.
What is the SMILES notation for N-methyl-4-[[methyl(oxido)azaniumyl]methyl]cyclohexan-1-amine oxide?
The canonical SMILES for N-methyl-4-[[methyl(oxido)azaniumyl]methyl]cyclohexan-1-amine oxide is C[NH+]([O-])CC1CCC([NH+](C)[O-])CC1.
What is the InChIKey of N-methyl-4-[[methyl(oxido)azaniumyl]methyl]cyclohexan-1-amine oxide?
The InChIKey is JRSXOPDTBAKRTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2O2/c1-10(12)7-8-3-5-9(6-4-8)11(2)13/h8-11H,3-7H2,1-2H3.
What are the key properties of N-methyl-4-[[methyl(oxido)azaniumyl]methyl]cyclohexan-1-amine oxide?
N-methyl-4-[[methyl(oxido)azaniumyl]methyl]cyclohexan-1-amine oxide has a molecular weight of 188.27 g/mol, XLogP of -1.43, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[[methyl(oxido)azaniumyl]methyl]cyclohexan-1-amine oxide is sourced from PubChem (CID 163689503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).