5-[4-(4-methylcyclohexyl)cyclohexyl]peroxybenzene-1,2,3-triamine

C19H31N3O2 — CID 163692751

IUPAC5-[4-(4-methylcyclohexyl)cyclohexyl]peroxybenzene-1,2,3-triamine
SMILESCC1CCC(C2CCC(OOc3cc(N)c(N)c(N)c3)CC2)CC1
InChIInChI=1S/C19H31N3O2/c1-12-2-4-13(5-3-12)14-6-8-15(9-7-14)23-24-16-10-17(20)19(22)18(21)11-16/h10-15H,2-9,20-22H2,1H3
InChIKeyJUIXFKGTGISQQU-UHFFFAOYSA-N
MW333.48 g/mol
LogP4.13
Rot. Bonds4

About 5-[4-(4-methylcyclohexyl)cyclohexyl]peroxybenzene-1,2,3-triamine

5-[4-(4-methylcyclohexyl)cyclohexyl]peroxybenzene-1,2,3-triamine (PubChem CID 163692751) has the molecular formula C19H31N3O2 and a molecular weight of 333.48 g/mol. Its IUPAC name is 5-[4-(4-methylcyclohexyl)cyclohexyl]peroxybenzene-1,2,3-triamine.

Molecular Properties

Compound Name5-[4-(4-methylcyclohexyl)cyclohexyl]peroxybenzene-1,2,3-triamine
PubChem CID163692751
Molecular FormulaC19H31N3O2
Molecular Weight333.48 g/mol
Exact Mass333.24
IUPAC Name5-[4-(4-methylcyclohexyl)cyclohexyl]peroxybenzene-1,2,3-triamine
SMILESCC1CCC(C2CCC(OOc3cc(N)c(N)c(N)c3)CC2)CC1
InChIInChI=1S/C19H31N3O2/c1-12-2-4-13(5-3-12)14-6-8-15(9-7-14)23-24-16-10-17(20)19(22)18(21)11-16/h10-15H,2-9,20-22H2,1H3
InChIKeyJUIXFKGTGISQQU-UHFFFAOYSA-N
XLogP4.13
TPSA96.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.48
LogP ≤ 54.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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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Frequently Asked Questions

What is the IUPAC name of 5-[4-(4-methylcyclohexyl)cyclohexyl]peroxybenzene-1,2,3-triamine?
The IUPAC name of 5-[4-(4-methylcyclohexyl)cyclohexyl]peroxybenzene-1,2,3-triamine (CID 163692751) is 5-[4-(4-methylcyclohexyl)cyclohexyl]peroxybenzene-1,2,3-triamine.
What is the SMILES notation for 5-[4-(4-methylcyclohexyl)cyclohexyl]peroxybenzene-1,2,3-triamine?
The canonical SMILES for 5-[4-(4-methylcyclohexyl)cyclohexyl]peroxybenzene-1,2,3-triamine is CC1CCC(C2CCC(OOc3cc(N)c(N)c(N)c3)CC2)CC1.
What is the InChIKey of 5-[4-(4-methylcyclohexyl)cyclohexyl]peroxybenzene-1,2,3-triamine?
The InChIKey is JUIXFKGTGISQQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3O2/c1-12-2-4-13(5-3-12)14-6-8-15(9-7-14)23-24-16-10-17(20)19(22)18(21)11-16/h10-15H,2-9,20-22H2,1H3.
What are the key properties of 5-[4-(4-methylcyclohexyl)cyclohexyl]peroxybenzene-1,2,3-triamine?
5-[4-(4-methylcyclohexyl)cyclohexyl]peroxybenzene-1,2,3-triamine has a molecular weight of 333.48 g/mol, XLogP of 4.13, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(4-methylcyclohexyl)cyclohexyl]peroxybenzene-1,2,3-triamine is sourced from PubChem (CID 163692751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).