4-N-[2-(4-methylcyclohexyl)ethyl]benzene-1,2,4-triamine

C15H25N3 — CID 106750865

IUPAC4-N-[2-(4-methylcyclohexyl)ethyl]benzene-1,2,4-triamine
SMILESCC1CCC(CCNc2ccc(N)c(N)c2)CC1
InChIInChI=1S/C15H25N3/c1-11-2-4-12(5-3-11)8-9-18-13-6-7-14(16)15(17)10-13/h6-7,10-12,18H,2-5,8-9,16-17H2,1H3
InChIKeyLUMCCIUPZJBYAI-UHFFFAOYSA-N
MW247.39 g/mol
LogP3.48
Rot. Bonds4

About 4-N-[2-(4-methylcyclohexyl)ethyl]benzene-1,2,4-triamine

4-N-[2-(4-methylcyclohexyl)ethyl]benzene-1,2,4-triamine (PubChem CID 106750865) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is 4-N-[2-(4-methylcyclohexyl)ethyl]benzene-1,2,4-triamine.

Molecular Properties

Compound Name4-N-[2-(4-methylcyclohexyl)ethyl]benzene-1,2,4-triamine
PubChem CID106750865
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC Name4-N-[2-(4-methylcyclohexyl)ethyl]benzene-1,2,4-triamine
SMILESCC1CCC(CCNc2ccc(N)c(N)c2)CC1
InChIInChI=1S/C15H25N3/c1-11-2-4-12(5-3-11)8-9-18-13-6-7-14(16)15(17)10-13/h6-7,10-12,18H,2-5,8-9,16-17H2,1H3
InChIKeyLUMCCIUPZJBYAI-UHFFFAOYSA-N
XLogP3.48
TPSA64.07 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.39
LogP ≤ 53.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-N-[2-(4-methylcyclohexyl)ethyl]benzene-1,2,4-triamine?
The IUPAC name of 4-N-[2-(4-methylcyclohexyl)ethyl]benzene-1,2,4-triamine (CID 106750865) is 4-N-[2-(4-methylcyclohexyl)ethyl]benzene-1,2,4-triamine.
What is the SMILES notation for 4-N-[2-(4-methylcyclohexyl)ethyl]benzene-1,2,4-triamine?
The canonical SMILES for 4-N-[2-(4-methylcyclohexyl)ethyl]benzene-1,2,4-triamine is CC1CCC(CCNc2ccc(N)c(N)c2)CC1.
What is the InChIKey of 4-N-[2-(4-methylcyclohexyl)ethyl]benzene-1,2,4-triamine?
The InChIKey is LUMCCIUPZJBYAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3/c1-11-2-4-12(5-3-11)8-9-18-13-6-7-14(16)15(17)10-13/h6-7,10-12,18H,2-5,8-9,16-17H2,1H3.
What are the key properties of 4-N-[2-(4-methylcyclohexyl)ethyl]benzene-1,2,4-triamine?
4-N-[2-(4-methylcyclohexyl)ethyl]benzene-1,2,4-triamine has a molecular weight of 247.39 g/mol, XLogP of 3.48, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2-(4-methylcyclohexyl)ethyl]benzene-1,2,4-triamine is sourced from PubChem (CID 106750865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).