4-methyl-N-(4-methylcyclohexa-2,4-dien-1-yl)oxy-N-oxidocyclohexan-1-amine

C14H22NO2- — CID 163896200

IUPAC4-methyl-N-(4-methylcyclohexa-2,4-dien-1-yl)oxy-N-oxidocyclohexan-1-amine
SMILESCC1=CCC(ON([O-])C2CCC(C)CC2)C=C1
InChIInChI=1S/C14H22NO2/c1-11-3-7-13(8-4-11)15(16)17-14-9-5-12(2)6-10-14/h5-6,9,11,13-14H,3-4,7-8,10H2,1-2H3/q-1
InChIKeyYVCVZBQJQOMSAA-UHFFFAOYSA-N
MW236.34 g/mol
LogP3.57
Rot. Bonds3

About 4-methyl-N-(4-methylcyclohexa-2,4-dien-1-yl)oxy-N-oxidocyclohexan-1-amine

4-methyl-N-(4-methylcyclohexa-2,4-dien-1-yl)oxy-N-oxidocyclohexan-1-amine (PubChem CID 163896200) has the molecular formula C14H22NO2- and a molecular weight of 236.34 g/mol. Its IUPAC name is 4-methyl-N-(4-methylcyclohexa-2,4-dien-1-yl)oxy-N-oxidocyclohexan-1-amine.

Molecular Properties

Compound Name4-methyl-N-(4-methylcyclohexa-2,4-dien-1-yl)oxy-N-oxidocyclohexan-1-amine
PubChem CID163896200
Molecular FormulaC14H22NO2-
Molecular Weight236.34 g/mol
Exact Mass236.17
IUPAC Name4-methyl-N-(4-methylcyclohexa-2,4-dien-1-yl)oxy-N-oxidocyclohexan-1-amine
SMILESCC1=CCC(ON([O-])C2CCC(C)CC2)C=C1
InChIInChI=1S/C14H22NO2/c1-11-3-7-13(8-4-11)15(16)17-14-9-5-12(2)6-10-14/h5-6,9,11,13-14H,3-4,7-8,10H2,1-2H3/q-1
InChIKeyYVCVZBQJQOMSAA-UHFFFAOYSA-N
XLogP3.57
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-methyl-N-(4-methylcyclohexa-2,4-dien-1-yl)oxy-N-oxidocyclohexan-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

Related Compounds

(5S)-5-ethoxy-2-methylcyclohexa-1,3-diene
CID 89420040
2-methyl-5-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexa-1,3-diene
CID 154528812
5-(methoxymethoxy)-2-methylcyclohexa-1,3-diene
CID 130351223
N-methyl-2-(4-methylcyclohexa-2,4-dien-1-yl)oxyethanamine
CID 123439096
5-methoxy-2-methylcyclohepta-1,3-diene
CID 70331714
N,N,4-trimethylcyclohexa-2,4-dien-1-amine
CID 89017646
[(1R)-4,7-dimethylcyclohepta-2,4-dien-1-yl]hydrazine
CID 163777490
5-iodo-2-methylcyclohexa-1,3-diene
CID 70252237
[4-(4-methylcyclohexa-2,4-dien-1-yl)oxycyclohexa-1,5-dien-1-yl]oxybenzene
CID 163764485
5-butyl-2-methylcyclohexa-1,3-diene
CID 12596747
4-ethoxycyclohexa-1,5-dien-1-amine
CID 67628843
N-ethyl-4-methyl-N-propylcyclohexa-2,4-dien-1-amine;methane
CID 143122302

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(4-methylcyclohexa-2,4-dien-1-yl)oxy-N-oxidocyclohexan-1-amine?
The IUPAC name of 4-methyl-N-(4-methylcyclohexa-2,4-dien-1-yl)oxy-N-oxidocyclohexan-1-amine (CID 163896200) is 4-methyl-N-(4-methylcyclohexa-2,4-dien-1-yl)oxy-N-oxidocyclohexan-1-amine.
What is the SMILES notation for 4-methyl-N-(4-methylcyclohexa-2,4-dien-1-yl)oxy-N-oxidocyclohexan-1-amine?
The canonical SMILES for 4-methyl-N-(4-methylcyclohexa-2,4-dien-1-yl)oxy-N-oxidocyclohexan-1-amine is CC1=CCC(ON([O-])C2CCC(C)CC2)C=C1.
What is the InChIKey of 4-methyl-N-(4-methylcyclohexa-2,4-dien-1-yl)oxy-N-oxidocyclohexan-1-amine?
The InChIKey is YVCVZBQJQOMSAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22NO2/c1-11-3-7-13(8-4-11)15(16)17-14-9-5-12(2)6-10-14/h5-6,9,11,13-14H,3-4,7-8,10H2,1-2H3/q-1.
What are the key properties of 4-methyl-N-(4-methylcyclohexa-2,4-dien-1-yl)oxy-N-oxidocyclohexan-1-amine?
4-methyl-N-(4-methylcyclohexa-2,4-dien-1-yl)oxy-N-oxidocyclohexan-1-amine has a molecular weight of 236.34 g/mol, XLogP of 3.57, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(4-methylcyclohexa-2,4-dien-1-yl)oxy-N-oxidocyclohexan-1-amine is sourced from PubChem (CID 163896200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).