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

C13H24N4 — CID 114133127

IUPAC4-N-[2-[ethyl(propyl)amino]ethyl]benzene-1,2,4-triamine
SMILESCCCN(CC)CCNc1ccc(N)c(N)c1
InChIInChI=1S/C13H24N4/c1-3-8-17(4-2)9-7-16-11-5-6-12(14)13(15)10-11/h5-6,10,16H,3-4,7-9,14-15H2,1-2H3
InChIKeyUCJSLRKYBFITBJ-UHFFFAOYSA-N
MW236.36 g/mol
LogP1.99
Rot. Bonds7

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

4-N-[2-[ethyl(propyl)amino]ethyl]benzene-1,2,4-triamine (PubChem CID 114133127) has the molecular formula C13H24N4 and a molecular weight of 236.36 g/mol. Its IUPAC name is 4-N-[2-[ethyl(propyl)amino]ethyl]benzene-1,2,4-triamine.

Molecular Properties

Compound Name4-N-[2-[ethyl(propyl)amino]ethyl]benzene-1,2,4-triamine
PubChem CID114133127
Molecular FormulaC13H24N4
Molecular Weight236.36 g/mol
Exact Mass236.20
IUPAC Name4-N-[2-[ethyl(propyl)amino]ethyl]benzene-1,2,4-triamine
SMILESCCCN(CC)CCNc1ccc(N)c(N)c1
InChIInChI=1S/C13H24N4/c1-3-8-17(4-2)9-7-16-11-5-6-12(14)13(15)10-11/h5-6,10,16H,3-4,7-9,14-15H2,1-2H3
InChIKeyUCJSLRKYBFITBJ-UHFFFAOYSA-N
XLogP1.99
TPSA67.31 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 51.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-N-[2-[ethyl(propyl)amino]ethyl]benzene-1,2,4-triamine 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

N'-ethyl-N-(3-methylphenyl)-N'-propylethane-1,2-diamine
CID 62575820
4-N-[2-[butan-2-yl(methyl)amino]ethyl]benzene-1,2,4-triamine
CID 114133203
3-(3,4-diaminoanilino)-N,N-diethylpropanamide
CID 106751126
4-[2-[ethyl(propyl)amino]ethylamino]pyridine-2-carboxylic acid
CID 114132784
2-N-[2-[ethyl(propyl)amino]ethyl]-5-methylpyridine-2,3-diamine
CID 114133124
4-N-(3-fluoropropyl)benzene-1,2,4-triamine
CID 126976135
N-[4-(aminomethyl)phenyl]-N',N'-diethylethane-1,2-diamine
CID 22693574
N'-ethyl-N'-[2-(4-nitroanilino)ethyl]-N-(4-nitrophenyl)ethane-1,2-diamine
CID 58794849
N-(4-bromo-3-methylphenyl)-N',N'-diethylethane-1,2-diamine
CID 28574811
5-amino-2,4-bis[4-[2-(diethylamino)ethylamino]anilino]phenol
CID 91460158
N-(3,4-diaminophenyl)-2-(diethylamino)acetamide
CID 66593690
4-N-[2-[cyclopropyl(ethyl)amino]ethyl]-2-methylbenzene-1,4-diamine
CID 114132964

Frequently Asked Questions

What is the IUPAC name of 4-N-[2-[ethyl(propyl)amino]ethyl]benzene-1,2,4-triamine?
The IUPAC name of 4-N-[2-[ethyl(propyl)amino]ethyl]benzene-1,2,4-triamine (CID 114133127) is 4-N-[2-[ethyl(propyl)amino]ethyl]benzene-1,2,4-triamine.
What is the SMILES notation for 4-N-[2-[ethyl(propyl)amino]ethyl]benzene-1,2,4-triamine?
The canonical SMILES for 4-N-[2-[ethyl(propyl)amino]ethyl]benzene-1,2,4-triamine is CCCN(CC)CCNc1ccc(N)c(N)c1.
What is the InChIKey of 4-N-[2-[ethyl(propyl)amino]ethyl]benzene-1,2,4-triamine?
The InChIKey is UCJSLRKYBFITBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4/c1-3-8-17(4-2)9-7-16-11-5-6-12(14)13(15)10-11/h5-6,10,16H,3-4,7-9,14-15H2,1-2H3.
What are the key properties of 4-N-[2-[ethyl(propyl)amino]ethyl]benzene-1,2,4-triamine?
4-N-[2-[ethyl(propyl)amino]ethyl]benzene-1,2,4-triamine has a molecular weight of 236.36 g/mol, XLogP of 1.99, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2-[ethyl(propyl)amino]ethyl]benzene-1,2,4-triamine is sourced from PubChem (CID 114133127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).