N-methoxy-1-methyl-N-oxidocyclohexan-1-amine

C8H16NO2- — CID 163740605

IUPACN-methoxy-1-methyl-N-oxidocyclohexan-1-amine
SMILESCON([O-])C1(C)CCCCC1
InChIInChI=1S/C8H16NO2/c1-8(9(10)11-2)6-4-3-5-7-8/h3-7H2,1-2H3/q-1
InChIKeyNARSCWVGEFHZEH-UHFFFAOYSA-N
MW158.22 g/mol
LogP2.07
Rot. Bonds2

About N-methoxy-1-methyl-N-oxidocyclohexan-1-amine

N-methoxy-1-methyl-N-oxidocyclohexan-1-amine (PubChem CID 163740605) has the molecular formula C8H16NO2- and a molecular weight of 158.22 g/mol. Its IUPAC name is N-methoxy-1-methyl-N-oxidocyclohexan-1-amine.

Molecular Properties

Compound NameN-methoxy-1-methyl-N-oxidocyclohexan-1-amine
PubChem CID163740605
Molecular FormulaC8H16NO2-
Molecular Weight158.22 g/mol
Exact Mass158.12
IUPAC NameN-methoxy-1-methyl-N-oxidocyclohexan-1-amine
SMILESCON([O-])C1(C)CCCCC1
InChIInChI=1S/C8H16NO2/c1-8(9(10)11-2)6-4-3-5-7-8/h3-7H2,1-2H3/q-1
InChIKeyNARSCWVGEFHZEH-UHFFFAOYSA-N
XLogP2.07
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.22
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N,1-dimethyl-N-oxidocyclononan-1-amine
CID 163589699
N,1-dimethyl-N-(1-methylcyclooctyl)cyclononan-1-amine
CID 139400703
1-methoxy-1-methylcyclononane
CID 123479365
1-methoxy-1-methylcyclodecane
CID 23154687
N-methyl-N-(1-methylcyclohexyl)formamide
CID 175037555
1,1,7,7-tetramethylcyclopentadecane
CID 123360096
1,1-dimethylcyclononane
CID 59289773
1-methoxy-1-(1-methoxycyclohexyl)cyclohexane
CID 90308314
1-methoxy-1-oxidooxycyclohexane
CID 102414242
1,1-dimethylcyclohexane;methane
CID 160770296
azane;1,1-dimethylcyclohexane
CID 90411117
1-methoxycycloheptane-1-carbonitrile
CID 15495961

Frequently Asked Questions

What is the IUPAC name of N-methoxy-1-methyl-N-oxidocyclohexan-1-amine?
The IUPAC name of N-methoxy-1-methyl-N-oxidocyclohexan-1-amine (CID 163740605) is N-methoxy-1-methyl-N-oxidocyclohexan-1-amine.
What is the SMILES notation for N-methoxy-1-methyl-N-oxidocyclohexan-1-amine?
The canonical SMILES for N-methoxy-1-methyl-N-oxidocyclohexan-1-amine is CON([O-])C1(C)CCCCC1.
What is the InChIKey of N-methoxy-1-methyl-N-oxidocyclohexan-1-amine?
The InChIKey is NARSCWVGEFHZEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16NO2/c1-8(9(10)11-2)6-4-3-5-7-8/h3-7H2,1-2H3/q-1.
What are the key properties of N-methoxy-1-methyl-N-oxidocyclohexan-1-amine?
N-methoxy-1-methyl-N-oxidocyclohexan-1-amine has a molecular weight of 158.22 g/mol, XLogP of 2.07, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-1-methyl-N-oxidocyclohexan-1-amine is sourced from PubChem (CID 163740605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).