4-N-(2-methylcyclohexyl)benzene-1,2,4-triamine

C13H21N3 — CID 106750255

IUPAC4-N-(2-methylcyclohexyl)benzene-1,2,4-triamine
SMILESCC1CCCCC1Nc1ccc(N)c(N)c1
InChIInChI=1S/C13H21N3/c1-9-4-2-3-5-13(9)16-10-6-7-11(14)12(15)8-10/h6-9,13,16H,2-5,14-15H2,1H3
InChIKeyUPNBTPDJRQGYJB-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.84
Rot. Bonds2

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

4-N-(2-methylcyclohexyl)benzene-1,2,4-triamine (PubChem CID 106750255) has the molecular formula C13H21N3 and a molecular weight of 219.33 g/mol. Its IUPAC name is 4-N-(2-methylcyclohexyl)benzene-1,2,4-triamine.

Molecular Properties

Compound Name4-N-(2-methylcyclohexyl)benzene-1,2,4-triamine
PubChem CID106750255
Molecular FormulaC13H21N3
Molecular Weight219.33 g/mol
Exact Mass219.17
IUPAC Name4-N-(2-methylcyclohexyl)benzene-1,2,4-triamine
SMILESCC1CCCCC1Nc1ccc(N)c(N)c1
InChIInChI=1S/C13H21N3/c1-9-4-2-3-5-13(9)16-10-6-7-11(14)12(15)8-10/h6-9,13,16H,2-5,14-15H2,1H3
InChIKeyUPNBTPDJRQGYJB-UHFFFAOYSA-N
XLogP2.84
TPSA64.07 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-1-N-(2-methylcyclopentyl)benzene-1,3-diamine
CID 63278049
1-[2-amino-5-[(2-methylcycloheptyl)amino]phenyl]ethanone
CID 104612930
N-(2-methylcyclohexyl)-2,3-dihydro-1,4-benzodioxin-6-amine
CID 43193591
4-bromo-3-chloro-N-(2-methylcyclohexyl)aniline
CID 107619202
2-chloro-5-[(2-methylcyclohexyl)amino]benzamide
CID 43713517
N-(2-methylcyclohexyl)-4-phenylaniline
CID 43716847
N-(2-methylcyclohexyl)-4-nitroaniline
CID 43079076
3-[(2-methylcyclohexyl)amino]benzamide
CID 43202841
4-fluoro-N-[(1R,2S)-2-methylcyclopentyl]aniline
CID 96923123
N-[2-chloro-4-[(2-methylcyclohexyl)amino]phenyl]methanesulfonamide
CID 43744752
methyl 4-amino-3-[(2-methylcyclohexyl)amino]benzoate
CID 82784954
4-[(2-methylcyclohexyl)amino]benzonitrile
CID 43178854

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-methylcyclohexyl)benzene-1,2,4-triamine?
The IUPAC name of 4-N-(2-methylcyclohexyl)benzene-1,2,4-triamine (CID 106750255) is 4-N-(2-methylcyclohexyl)benzene-1,2,4-triamine.
What is the SMILES notation for 4-N-(2-methylcyclohexyl)benzene-1,2,4-triamine?
The canonical SMILES for 4-N-(2-methylcyclohexyl)benzene-1,2,4-triamine is CC1CCCCC1Nc1ccc(N)c(N)c1.
What is the InChIKey of 4-N-(2-methylcyclohexyl)benzene-1,2,4-triamine?
The InChIKey is UPNBTPDJRQGYJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3/c1-9-4-2-3-5-13(9)16-10-6-7-11(14)12(15)8-10/h6-9,13,16H,2-5,14-15H2,1H3.
What are the key properties of 4-N-(2-methylcyclohexyl)benzene-1,2,4-triamine?
4-N-(2-methylcyclohexyl)benzene-1,2,4-triamine has a molecular weight of 219.33 g/mol, XLogP of 2.84, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-methylcyclohexyl)benzene-1,2,4-triamine is sourced from PubChem (CID 106750255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).