4-N-ethyl-4-N-pentan-2-ylbenzene-1,4-diamine

C13H22N2 — CID 107891860

IUPAC4-N-ethyl-4-N-pentan-2-ylbenzene-1,4-diamine
SMILESCCCC(C)N(CC)c1ccc(N)cc1
InChIInChI=1S/C13H22N2/c1-4-6-11(3)15(5-2)13-9-7-12(14)8-10-13/h7-11H,4-6,14H2,1-3H3
InChIKeyUEBNGXLPSICJLP-UHFFFAOYSA-N
MW206.33 g/mol
LogP3.28
Rot. Bonds5

About 4-N-ethyl-4-N-pentan-2-ylbenzene-1,4-diamine

4-N-ethyl-4-N-pentan-2-ylbenzene-1,4-diamine (PubChem CID 107891860) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is 4-N-ethyl-4-N-pentan-2-ylbenzene-1,4-diamine.

Molecular Properties

Compound Name4-N-ethyl-4-N-pentan-2-ylbenzene-1,4-diamine
PubChem CID107891860
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC Name4-N-ethyl-4-N-pentan-2-ylbenzene-1,4-diamine
SMILESCCCC(C)N(CC)c1ccc(N)cc1
InChIInChI=1S/C13H22N2/c1-4-6-11(3)15(5-2)13-9-7-12(14)8-10-13/h7-11H,4-6,14H2,1-3H3
InChIKeyUEBNGXLPSICJLP-UHFFFAOYSA-N
XLogP3.28
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(4-amino-N-ethylanilino)propanenitrile
CID 63234135
4-[[ethyl(pentan-2-yl)amino]methyl]aniline
CID 107891822
4-N-methyl-4-N-(2-methylpentyl)benzene-1,4-diamine
CID 62264507
2-(4-amino-N-propylanilino)propanamide
CID 63233906
4-N,4-N-diethylbenzene-1,4-diamine chloride
CID 18327270
4-(aminomethyl)-N-butan-2-yl-N-ethylaniline
CID 43274064
4-[(1S)-1-aminoethyl]-N-butan-2-yl-N-ethylaniline
CID 63368258
2-(4-amino-N-propan-2-ylanilino)ethanol
CID 18793769
benzene-1,4-diamine;butane
CID 67434753
N'-pentan-2-yl-N'-phenylpropane-1,3-diamine
CID 107895596
1-N,4-dimethyl-1-N-pentan-2-ylbenzene-1,3-diamine
CID 62910764
4-N,4-N-dipropylbenzene-1,4-diamine
CID 10219779

Frequently Asked Questions

What is the IUPAC name of 4-N-ethyl-4-N-pentan-2-ylbenzene-1,4-diamine?
The IUPAC name of 4-N-ethyl-4-N-pentan-2-ylbenzene-1,4-diamine (CID 107891860) is 4-N-ethyl-4-N-pentan-2-ylbenzene-1,4-diamine.
What is the SMILES notation for 4-N-ethyl-4-N-pentan-2-ylbenzene-1,4-diamine?
The canonical SMILES for 4-N-ethyl-4-N-pentan-2-ylbenzene-1,4-diamine is CCCC(C)N(CC)c1ccc(N)cc1.
What is the InChIKey of 4-N-ethyl-4-N-pentan-2-ylbenzene-1,4-diamine?
The InChIKey is UEBNGXLPSICJLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2/c1-4-6-11(3)15(5-2)13-9-7-12(14)8-10-13/h7-11H,4-6,14H2,1-3H3.
What are the key properties of 4-N-ethyl-4-N-pentan-2-ylbenzene-1,4-diamine?
4-N-ethyl-4-N-pentan-2-ylbenzene-1,4-diamine has a molecular weight of 206.33 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-ethyl-4-N-pentan-2-ylbenzene-1,4-diamine is sourced from PubChem (CID 107891860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).