4-N-[2-[butan-2-yl(methyl)amino]ethyl]benzene-1,2,4-triamine

C13H24N4 — CID 114133203

IUPAC4-N-[2-[butan-2-yl(methyl)amino]ethyl]benzene-1,2,4-triamine
SMILESCCC(C)N(C)CCNc1ccc(N)c(N)c1
InChIInChI=1S/C13H24N4/c1-4-10(2)17(3)8-7-16-11-5-6-12(14)13(15)9-11/h5-6,9-10,16H,4,7-8,14-15H2,1-3H3
InChIKeyZFOZAKWJOWAFIG-UHFFFAOYSA-N
MW236.36 g/mol
LogP1.99
Rot. Bonds6

About 4-N-[2-[butan-2-yl(methyl)amino]ethyl]benzene-1,2,4-triamine

4-N-[2-[butan-2-yl(methyl)amino]ethyl]benzene-1,2,4-triamine (PubChem CID 114133203) has the molecular formula C13H24N4 and a molecular weight of 236.36 g/mol. Its IUPAC name is 4-N-[2-[butan-2-yl(methyl)amino]ethyl]benzene-1,2,4-triamine.

Molecular Properties

Compound Name4-N-[2-[butan-2-yl(methyl)amino]ethyl]benzene-1,2,4-triamine
PubChem CID114133203
Molecular FormulaC13H24N4
Molecular Weight236.36 g/mol
Exact Mass236.20
IUPAC Name4-N-[2-[butan-2-yl(methyl)amino]ethyl]benzene-1,2,4-triamine
SMILESCCC(C)N(C)CCNc1ccc(N)c(N)c1
InChIInChI=1S/C13H24N4/c1-4-10(2)17(3)8-7-16-11-5-6-12(14)13(15)9-11/h5-6,9-10,16H,4,7-8,14-15H2,1-3H3
InChIKeyZFOZAKWJOWAFIG-UHFFFAOYSA-N
XLogP1.99
TPSA67.31 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
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'}

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Related Compounds

4-N-[2-[ethyl(propyl)amino]ethyl]benzene-1,2,4-triamine
CID 114133127
1-N-[2-[methyl(propan-2-yl)amino]ethyl]-4-nitrobenzene-1,3-diamine
CID 106749260
4-N-[2-[butan-2-yl(methyl)amino]ethyl]-2-chloro-5-methylbenzene-1,4-diamine
CID 114133149
3-(3,4-diaminoanilino)-N,N-diethylpropanamide
CID 106751126
N'-butan-2-yl-N-(3-ethoxy-4-nitrophenyl)-N'-methylethane-1,2-diamine
CID 103894496
4-N-[2-(2-methylpropoxy)ethyl]benzene-1,2,4-triamine
CID 106751223
4-N-[2-[butan-2-yl(methyl)amino]ethyl]-6-N-methylpyrimidine-2,4,6-triamine
CID 114133534
4-N-(2,3-dimethylbutyl)benzene-1,2,4-triamine
CID 106750890
2-amino-5-[3-[methyl(propan-2-yl)amino]propylamino]benzonitrile
CID 114139297
2-amino-5-[2-[di(propan-2-yl)amino]ethylamino]benzonitrile
CID 115498963
4-N-(3-phenylbutyl)benzene-1,2,4-triamine
CID 106750765
4-N-(3-fluoropropyl)benzene-1,2,4-triamine
CID 126976135

Frequently Asked Questions

What is the IUPAC name of 4-N-[2-[butan-2-yl(methyl)amino]ethyl]benzene-1,2,4-triamine?
The IUPAC name of 4-N-[2-[butan-2-yl(methyl)amino]ethyl]benzene-1,2,4-triamine (CID 114133203) is 4-N-[2-[butan-2-yl(methyl)amino]ethyl]benzene-1,2,4-triamine.
What is the SMILES notation for 4-N-[2-[butan-2-yl(methyl)amino]ethyl]benzene-1,2,4-triamine?
The canonical SMILES for 4-N-[2-[butan-2-yl(methyl)amino]ethyl]benzene-1,2,4-triamine is CCC(C)N(C)CCNc1ccc(N)c(N)c1.
What is the InChIKey of 4-N-[2-[butan-2-yl(methyl)amino]ethyl]benzene-1,2,4-triamine?
The InChIKey is ZFOZAKWJOWAFIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4/c1-4-10(2)17(3)8-7-16-11-5-6-12(14)13(15)9-11/h5-6,9-10,16H,4,7-8,14-15H2,1-3H3.
What are the key properties of 4-N-[2-[butan-2-yl(methyl)amino]ethyl]benzene-1,2,4-triamine?
4-N-[2-[butan-2-yl(methyl)amino]ethyl]benzene-1,2,4-triamine has a molecular weight of 236.36 g/mol, XLogP of 1.99, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2-[butan-2-yl(methyl)amino]ethyl]benzene-1,2,4-triamine is sourced from PubChem (CID 114133203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).