4-N-(2,3-dimethylbutyl)benzene-1,2,4-triamine

C12H21N3 — CID 106750890

IUPAC4-N-(2,3-dimethylbutyl)benzene-1,2,4-triamine
SMILESCC(C)C(C)CNc1ccc(N)c(N)c1
InChIInChI=1S/C12H21N3/c1-8(2)9(3)7-15-10-4-5-11(13)12(14)6-10/h4-6,8-9,15H,7,13-14H2,1-3H3
InChIKeyHWQMTBHPSXRHPX-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.56
Rot. Bonds4

About 4-N-(2,3-dimethylbutyl)benzene-1,2,4-triamine

4-N-(2,3-dimethylbutyl)benzene-1,2,4-triamine (PubChem CID 106750890) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is 4-N-(2,3-dimethylbutyl)benzene-1,2,4-triamine.

Molecular Properties

Compound Name4-N-(2,3-dimethylbutyl)benzene-1,2,4-triamine
PubChem CID106750890
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name4-N-(2,3-dimethylbutyl)benzene-1,2,4-triamine
SMILESCC(C)C(C)CNc1ccc(N)c(N)c1
InChIInChI=1S/C12H21N3/c1-8(2)9(3)7-15-10-4-5-11(13)12(14)6-10/h4-6,8-9,15H,7,13-14H2,1-3H3
InChIKeyHWQMTBHPSXRHPX-UHFFFAOYSA-N
XLogP2.56
TPSA64.07 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.56
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

2-amino-5-(2,3-dimethylbutylamino)benzoic acid
CID 64598673
4-N-(2-methylsulfinylpropyl)benzene-1,2,4-triamine
CID 106751170
4-N-[(E)-pent-2-enyl]benzene-1,2,4-triamine
CID 131246902
1-(3,4-diaminoanilino)pentan-2-ol
CID 106751189
4-methyl-1-N-(2,3,3-trimethylbutyl)benzene-1,3-diamine
CID 83142252
4-chloro-2-N-(2,3-dimethylbutyl)benzene-1,2-diamine
CID 115469039
4-(2,3-dimethylbutylamino)benzoic acid
CID 64599150
4-N-[2-(2-methylpropoxy)ethyl]benzene-1,2,4-triamine
CID 106751223
2-methoxy-4-N-(3-methyl-2-propan-2-ylbutyl)benzene-1,4-diamine
CID 102903600
2-methoxy-4-N-(2,3,3-trimethylbutyl)benzene-1,4-diamine
CID 83142108
4-N-(3-phenylbutyl)benzene-1,2,4-triamine
CID 106750765
4-N-[2-[butan-2-yl(methyl)amino]ethyl]benzene-1,2,4-triamine
CID 114133203

Frequently Asked Questions

What is the IUPAC name of 4-N-(2,3-dimethylbutyl)benzene-1,2,4-triamine?
The IUPAC name of 4-N-(2,3-dimethylbutyl)benzene-1,2,4-triamine (CID 106750890) is 4-N-(2,3-dimethylbutyl)benzene-1,2,4-triamine.
What is the SMILES notation for 4-N-(2,3-dimethylbutyl)benzene-1,2,4-triamine?
The canonical SMILES for 4-N-(2,3-dimethylbutyl)benzene-1,2,4-triamine is CC(C)C(C)CNc1ccc(N)c(N)c1.
What is the InChIKey of 4-N-(2,3-dimethylbutyl)benzene-1,2,4-triamine?
The InChIKey is HWQMTBHPSXRHPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-8(2)9(3)7-15-10-4-5-11(13)12(14)6-10/h4-6,8-9,15H,7,13-14H2,1-3H3.
What are the key properties of 4-N-(2,3-dimethylbutyl)benzene-1,2,4-triamine?
4-N-(2,3-dimethylbutyl)benzene-1,2,4-triamine has a molecular weight of 207.32 g/mol, XLogP of 2.56, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2,3-dimethylbutyl)benzene-1,2,4-triamine is sourced from PubChem (CID 106750890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).