1-N-cyclohexyl-4-(methylperoxymethyl)benzene-1,2-diamine

C14H22N2O2 — CID 89234319

IUPAC1-N-cyclohexyl-4-(methylperoxymethyl)benzene-1,2-diamine
SMILESCOOCc1ccc(NC2CCCCC2)c(N)c1
InChIInChI=1S/C14H22N2O2/c1-17-18-10-11-7-8-14(13(15)9-11)16-12-5-3-2-4-6-12/h7-9,12,16H,2-6,10,15H2,1H3
InChIKeyNPYJJZDUOVBINB-UHFFFAOYSA-N
MW250.34 g/mol
LogP3.09
Rot. Bonds5

About 1-N-cyclohexyl-4-(methylperoxymethyl)benzene-1,2-diamine

1-N-cyclohexyl-4-(methylperoxymethyl)benzene-1,2-diamine (PubChem CID 89234319) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 1-N-cyclohexyl-4-(methylperoxymethyl)benzene-1,2-diamine.

Molecular Properties

Compound Name1-N-cyclohexyl-4-(methylperoxymethyl)benzene-1,2-diamine
PubChem CID89234319
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name1-N-cyclohexyl-4-(methylperoxymethyl)benzene-1,2-diamine
SMILESCOOCc1ccc(NC2CCCCC2)c(N)c1
InChIInChI=1S/C14H22N2O2/c1-17-18-10-11-7-8-14(13(15)9-11)16-12-5-3-2-4-6-12/h7-9,12,16H,2-6,10,15H2,1H3
InChIKeyNPYJJZDUOVBINB-UHFFFAOYSA-N
XLogP3.09
TPSA56.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[4-(Methoxymethyl)phenyl]piperazine
CID 19958502
[4-(Cyclohexylamino)phenyl]methanol
CID 104305135
2-N-[4-[(1R,2S)-2-amino-3-fluoro-1-methoxypropyl]phenyl]cyclohexane-1,2-diamine
CID 134395502
2-N-[4-(2-amino-3-fluoro-1-methoxypropyl)phenyl]cyclohexane-1,2-diamine
CID 142457180
4-[cyclopropylidene(methoxy)methyl]-5-fluoro-2-N-propan-2-ylbenzene-1,2-diamine
CID 163242172
4-fluoro-1-N-[3-(methoxymethyl)phenyl]-5-methylbenzene-1,2-diamine
CID 103590122
[4-[(2-Amino-4-fluoro-5-methylanilino)methyl]phenyl]methanol
CID 107231565
[3-[[2-Amino-4-(trifluoromethyl)anilino]methyl]phenyl]methanol
CID 107231794
[3-[(2-Amino-4-fluoro-5-methylanilino)methyl]phenyl]methanol
CID 107231858
[4-(2-Amino-4-fluoro-5-methylanilino)cyclohexyl]methanol
CID 112753271
[4-[1-(Dimethylamino)propan-2-ylamino]-3-fluorophenyl]methanol
CID 139271363
Anilino-[4-(dimethylamino)phenyl]methanol
CID 14094976

Frequently Asked Questions

What is the IUPAC name of 1-N-cyclohexyl-4-(methylperoxymethyl)benzene-1,2-diamine?
The IUPAC name of 1-N-cyclohexyl-4-(methylperoxymethyl)benzene-1,2-diamine (CID 89234319) is 1-N-cyclohexyl-4-(methylperoxymethyl)benzene-1,2-diamine.
What is the SMILES notation for 1-N-cyclohexyl-4-(methylperoxymethyl)benzene-1,2-diamine?
The canonical SMILES for 1-N-cyclohexyl-4-(methylperoxymethyl)benzene-1,2-diamine is COOCc1ccc(NC2CCCCC2)c(N)c1.
What is the InChIKey of 1-N-cyclohexyl-4-(methylperoxymethyl)benzene-1,2-diamine?
The InChIKey is NPYJJZDUOVBINB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-17-18-10-11-7-8-14(13(15)9-11)16-12-5-3-2-4-6-12/h7-9,12,16H,2-6,10,15H2,1H3.
What are the key properties of 1-N-cyclohexyl-4-(methylperoxymethyl)benzene-1,2-diamine?
1-N-cyclohexyl-4-(methylperoxymethyl)benzene-1,2-diamine has a molecular weight of 250.34 g/mol, XLogP of 3.09, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-cyclohexyl-4-(methylperoxymethyl)benzene-1,2-diamine is sourced from PubChem (CID 89234319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).