4-N-pentan-2-ylbenzene-1,2,4-triamine

C11H19N3 — CID 106750233

IUPAC4-N-pentan-2-ylbenzene-1,2,4-triamine
SMILESCCCC(C)Nc1ccc(N)c(N)c1
InChIInChI=1S/C11H19N3/c1-3-4-8(2)14-9-5-6-10(12)11(13)7-9/h5-8,14H,3-4,12-13H2,1-2H3
InChIKeyAYRUNRHLOMSUTB-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.45
Rot. Bonds4

About 4-N-pentan-2-ylbenzene-1,2,4-triamine

4-N-pentan-2-ylbenzene-1,2,4-triamine (PubChem CID 106750233) has the molecular formula C11H19N3 and a molecular weight of 193.29 g/mol. Its IUPAC name is 4-N-pentan-2-ylbenzene-1,2,4-triamine.

Molecular Properties

Compound Name4-N-pentan-2-ylbenzene-1,2,4-triamine
PubChem CID106750233
Molecular FormulaC11H19N3
Molecular Weight193.29 g/mol
Exact Mass193.16
IUPAC Name4-N-pentan-2-ylbenzene-1,2,4-triamine
SMILESCCCC(C)Nc1ccc(N)c(N)c1
InChIInChI=1S/C11H19N3/c1-3-4-8(2)14-9-5-6-10(12)11(13)7-9/h5-8,14H,3-4,12-13H2,1-2H3
InChIKeyAYRUNRHLOMSUTB-UHFFFAOYSA-N
XLogP2.45
TPSA64.07 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.45
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

4-N-(5-methylhexan-2-yl)benzene-1,2,4-triamine
CID 106750847
4-N-(4-methylpentan-2-yl)benzene-1,2,4-triamine
CID 106750392
4-N-pent-4-en-2-ylbenzene-1,2,4-triamine
CID 106751150
4-(aminomethyl)-N-pentan-2-ylaniline
CID 107886094
5-N-pentan-2-ylpyridine-3,5-diamine
CID 104532600
4-(pentan-2-ylamino)benzamide
CID 43193030
4-N-hexan-2-yl-2-propan-2-yloxybenzene-1,4-diamine
CID 83002251
2,2-dimethyl-N-pentan-2-yl-1,3-benzodioxol-5-amine
CID 43676303
4-fluoro-N-pentan-2-ylaniline
CID 15724808
4-N-heptan-2-yl-2-phenylbenzene-1,4-diamine
CID 70145263
1-(3,4-diaminoanilino)pentan-2-ol
CID 106751189
3-ethyl-N-pentan-2-ylaniline
CID 43102191

Frequently Asked Questions

What is the IUPAC name of 4-N-pentan-2-ylbenzene-1,2,4-triamine?
The IUPAC name of 4-N-pentan-2-ylbenzene-1,2,4-triamine (CID 106750233) is 4-N-pentan-2-ylbenzene-1,2,4-triamine.
What is the SMILES notation for 4-N-pentan-2-ylbenzene-1,2,4-triamine?
The canonical SMILES for 4-N-pentan-2-ylbenzene-1,2,4-triamine is CCCC(C)Nc1ccc(N)c(N)c1.
What is the InChIKey of 4-N-pentan-2-ylbenzene-1,2,4-triamine?
The InChIKey is AYRUNRHLOMSUTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3/c1-3-4-8(2)14-9-5-6-10(12)11(13)7-9/h5-8,14H,3-4,12-13H2,1-2H3.
What are the key properties of 4-N-pentan-2-ylbenzene-1,2,4-triamine?
4-N-pentan-2-ylbenzene-1,2,4-triamine has a molecular weight of 193.29 g/mol, XLogP of 2.45, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-pentan-2-ylbenzene-1,2,4-triamine is sourced from PubChem (CID 106750233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).