N-methyl-N-oxidocyclohexen-1-amine

C7H12NO- — CID 163641759

IUPACN-methyl-N-oxidocyclohexen-1-amine
SMILESCN([O-])C1=CCCCC1
InChIInChI=1S/C7H12NO/c1-8(9)7-5-3-2-4-6-7/h5H,2-4,6H2,1H3/q-1
InChIKeyWLGNGPMJNUUZGU-UHFFFAOYSA-N
MW126.18 g/mol
LogP1.87
Rot. Bonds1

About N-methyl-N-oxidocyclohexen-1-amine

N-methyl-N-oxidocyclohexen-1-amine (PubChem CID 163641759) has the molecular formula C7H12NO- and a molecular weight of 126.18 g/mol. Its IUPAC name is N-methyl-N-oxidocyclohexen-1-amine.

Molecular Properties

Compound NameN-methyl-N-oxidocyclohexen-1-amine
PubChem CID163641759
Molecular FormulaC7H12NO-
Molecular Weight126.18 g/mol
Exact Mass126.09
IUPAC NameN-methyl-N-oxidocyclohexen-1-amine
SMILESCN([O-])C1=CCCCC1
InChIInChI=1S/C7H12NO/c1-8(9)7-5-3-2-4-6-7/h5H,2-4,6H2,1H3/q-1
InChIKeyWLGNGPMJNUUZGU-UHFFFAOYSA-N
XLogP1.87
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.18
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-methyl-N-oxidocyclohexen-1-amine 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 N-methyl-N-oxidocyclohexen-1-amine?
The IUPAC name of N-methyl-N-oxidocyclohexen-1-amine (CID 163641759) is N-methyl-N-oxidocyclohexen-1-amine.
What is the SMILES notation for N-methyl-N-oxidocyclohexen-1-amine?
The canonical SMILES for N-methyl-N-oxidocyclohexen-1-amine is CN([O-])C1=CCCCC1.
What is the InChIKey of N-methyl-N-oxidocyclohexen-1-amine?
The InChIKey is WLGNGPMJNUUZGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12NO/c1-8(9)7-5-3-2-4-6-7/h5H,2-4,6H2,1H3/q-1.
What are the key properties of N-methyl-N-oxidocyclohexen-1-amine?
N-methyl-N-oxidocyclohexen-1-amine has a molecular weight of 126.18 g/mol, XLogP of 1.87, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-oxidocyclohexen-1-amine is sourced from PubChem (CID 163641759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).