1-N-[4-(methylamino)butyl]benzene-1,2,4-triamine

C11H20N4 — CID 164917837

IUPAC1-N-[4-(methylamino)butyl]benzene-1,2,4-triamine
SMILESCNCCCCNc1ccc(N)cc1N
InChIInChI=1S/C11H20N4/c1-14-6-2-3-7-15-11-5-4-9(12)8-10(11)13/h4-5,8,14-15H,2-3,6-7,12-13H2,1H3
InChIKeyWWSXGZRGODCHKE-UHFFFAOYSA-N
MW208.31 g/mol
LogP1.26
Rot. Bonds6

About 1-N-[4-(methylamino)butyl]benzene-1,2,4-triamine

1-N-[4-(methylamino)butyl]benzene-1,2,4-triamine (PubChem CID 164917837) has the molecular formula C11H20N4 and a molecular weight of 208.31 g/mol. Its IUPAC name is 1-N-[4-(methylamino)butyl]benzene-1,2,4-triamine.

Molecular Properties

Compound Name1-N-[4-(methylamino)butyl]benzene-1,2,4-triamine
PubChem CID164917837
Molecular FormulaC11H20N4
Molecular Weight208.31 g/mol
Exact Mass208.17
IUPAC Name1-N-[4-(methylamino)butyl]benzene-1,2,4-triamine
SMILESCNCCCCNc1ccc(N)cc1N
InChIInChI=1S/C11H20N4/c1-14-6-2-3-7-15-11-5-4-9(12)8-10(11)13/h4-5,8,14-15H,2-3,6-7,12-13H2,1H3
InChIKeyWWSXGZRGODCHKE-UHFFFAOYSA-N
XLogP1.26
TPSA76.10 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 51.26
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethane;ethylcyclohexane;methanamine;1-N-[4-(methylamino)butyl]benzene-1,2,4-triamine
CID 164917836
1-N-[3-(2,4-diaminoanilino)propyl]benzene-1,2,4-triamine;sulfuric acid
CID 19357418
6-(2,4-diaminoanilino)hexan-1-ol
CID 143590092
2-(2,4-diaminoanilino)ethyl-trimethylazanium
CID 90023471
1-N-[3-(3-methylimidazol-3-ium-1-yl)propyl]benzene-1,2,4-triamine
CID 90022369
1-N-[2-[2-(dimethylamino)ethylamino]ethyl]benzene-1,2,4-triamine
CID 90053317
1-N-[2-[2-(dimethylamino)ethoxy]ethyl]benzene-1,2,4-triamine
CID 90053318
1-N-butyl-2-chlorobenzene-1,4-diamine
CID 20565180
2-(difluoromethyl)-1-N-(5-methylhexyl)benzene-1,4-diamine
CID 115324658
2-methyl-4-N-[6-(methylamino)hexyl]benzene-1,4-diamine
CID 163790181
1-N-(6-methoxyhexyl)-2-methylbenzene-1,4-diamine
CID 58596116
1-N-pentyl-2-(trifluoromethyl)benzene-1,4-diamine
CID 54935380

Frequently Asked Questions

What is the IUPAC name of 1-N-[4-(methylamino)butyl]benzene-1,2,4-triamine?
The IUPAC name of 1-N-[4-(methylamino)butyl]benzene-1,2,4-triamine (CID 164917837) is 1-N-[4-(methylamino)butyl]benzene-1,2,4-triamine.
What is the SMILES notation for 1-N-[4-(methylamino)butyl]benzene-1,2,4-triamine?
The canonical SMILES for 1-N-[4-(methylamino)butyl]benzene-1,2,4-triamine is CNCCCCNc1ccc(N)cc1N.
What is the InChIKey of 1-N-[4-(methylamino)butyl]benzene-1,2,4-triamine?
The InChIKey is WWSXGZRGODCHKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4/c1-14-6-2-3-7-15-11-5-4-9(12)8-10(11)13/h4-5,8,14-15H,2-3,6-7,12-13H2,1H3.
What are the key properties of 1-N-[4-(methylamino)butyl]benzene-1,2,4-triamine?
1-N-[4-(methylamino)butyl]benzene-1,2,4-triamine has a molecular weight of 208.31 g/mol, XLogP of 1.26, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[4-(methylamino)butyl]benzene-1,2,4-triamine is sourced from PubChem (CID 164917837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).