4-N-[2-(dimethylamino)ethyl]-4-N-propylbenzene-1,2,4-triamine

C13H24N4 — CID 106750685

IUPAC4-N-[2-(dimethylamino)ethyl]-4-N-propylbenzene-1,2,4-triamine
SMILESCCCN(CCN(C)C)c1ccc(N)c(N)c1
InChIInChI=1S/C13H24N4/c1-4-7-17(9-8-16(2)3)11-5-6-12(14)13(15)10-11/h5-6,10H,4,7-9,14-15H2,1-3H3
InChIKeyJJZBDWOIFZITSK-UHFFFAOYSA-N
MW236.36 g/mol
LogP1.63
Rot. Bonds6

About 4-N-[2-(dimethylamino)ethyl]-4-N-propylbenzene-1,2,4-triamine

4-N-[2-(dimethylamino)ethyl]-4-N-propylbenzene-1,2,4-triamine (PubChem CID 106750685) has the molecular formula C13H24N4 and a molecular weight of 236.36 g/mol. Its IUPAC name is 4-N-[2-(dimethylamino)ethyl]-4-N-propylbenzene-1,2,4-triamine.

Molecular Properties

Compound Name4-N-[2-(dimethylamino)ethyl]-4-N-propylbenzene-1,2,4-triamine
PubChem CID106750685
Molecular FormulaC13H24N4
Molecular Weight236.36 g/mol
Exact Mass236.20
IUPAC Name4-N-[2-(dimethylamino)ethyl]-4-N-propylbenzene-1,2,4-triamine
SMILESCCCN(CCN(C)C)c1ccc(N)c(N)c1
InChIInChI=1S/C13H24N4/c1-4-7-17(9-8-16(2)3)11-5-6-12(14)13(15)10-11/h5-6,10H,4,7-9,14-15H2,1-3H3
InChIKeyJJZBDWOIFZITSK-UHFFFAOYSA-N
XLogP1.63
TPSA58.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N,N-dimethyl-p-phenylenediamine
CID 7472
N,N-Diethyl-p-phenylenediamine
CID 7120
N,N'-Di-sec-butyl-p-phenylenediamine
CID 7589
N,N-Diethyl-p-phenylenediamine hydrochloride
CID 75145
1,2-Ethanediamine, N1-ethyl-N2,N2-dimethyl-N1-phenyl-
CID 33984
2,4-Diaminodiphenylamine
CID 8683
N-(2-(Dimethylamino)ethyl)aniline
CID 81206
1,4-Benzenediamine, N1,N1-dimethyl-, hydrochloride (1:1)
CID 7736
2-(4-Methylpiperazin-1-yl)aniline
CID 286547
4-(4-Ethylpiperazin-1-yl)aniline
CID 936738
3-Fluoro-4-(4-methylpiperazin-1-yl)aniline
CID 2783055
1,2-Ethanediamine, N1,N1-diethyl-N2-phenyl-
CID 74271

Frequently Asked Questions

What is the IUPAC name of 4-N-[2-(dimethylamino)ethyl]-4-N-propylbenzene-1,2,4-triamine?
The IUPAC name of 4-N-[2-(dimethylamino)ethyl]-4-N-propylbenzene-1,2,4-triamine (CID 106750685) is 4-N-[2-(dimethylamino)ethyl]-4-N-propylbenzene-1,2,4-triamine.
What is the SMILES notation for 4-N-[2-(dimethylamino)ethyl]-4-N-propylbenzene-1,2,4-triamine?
The canonical SMILES for 4-N-[2-(dimethylamino)ethyl]-4-N-propylbenzene-1,2,4-triamine is CCCN(CCN(C)C)c1ccc(N)c(N)c1.
What is the InChIKey of 4-N-[2-(dimethylamino)ethyl]-4-N-propylbenzene-1,2,4-triamine?
The InChIKey is JJZBDWOIFZITSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4/c1-4-7-17(9-8-16(2)3)11-5-6-12(14)13(15)10-11/h5-6,10H,4,7-9,14-15H2,1-3H3.
What are the key properties of 4-N-[2-(dimethylamino)ethyl]-4-N-propylbenzene-1,2,4-triamine?
4-N-[2-(dimethylamino)ethyl]-4-N-propylbenzene-1,2,4-triamine has a molecular weight of 236.36 g/mol, XLogP of 1.63, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2-(dimethylamino)ethyl]-4-N-propylbenzene-1,2,4-triamine is sourced from PubChem (CID 106750685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).