4-N-(2-ethylbutyl)-4-N-methylbenzene-1,4-diamine

C13H22N2 — CID 82929243

IUPAC4-N-(2-ethylbutyl)-4-N-methylbenzene-1,4-diamine
SMILESCCC(CC)CN(C)c1ccc(N)cc1
InChIInChI=1S/C13H22N2/c1-4-11(5-2)10-15(3)13-8-6-12(14)7-9-13/h6-9,11H,4-5,10,14H2,1-3H3
InChIKeyMCJQDVBNCUZQLP-UHFFFAOYSA-N
MW206.33 g/mol
LogP3.14
Rot. Bonds5

About 4-N-(2-ethylbutyl)-4-N-methylbenzene-1,4-diamine

4-N-(2-ethylbutyl)-4-N-methylbenzene-1,4-diamine (PubChem CID 82929243) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is 4-N-(2-ethylbutyl)-4-N-methylbenzene-1,4-diamine.

Molecular Properties

Compound Name4-N-(2-ethylbutyl)-4-N-methylbenzene-1,4-diamine
PubChem CID82929243
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC Name4-N-(2-ethylbutyl)-4-N-methylbenzene-1,4-diamine
SMILESCCC(CC)CN(C)c1ccc(N)cc1
InChIInChI=1S/C13H22N2/c1-4-11(5-2)10-15(3)13-8-6-12(14)7-9-13/h6-9,11H,4-5,10,14H2,1-3H3
InChIKeyMCJQDVBNCUZQLP-UHFFFAOYSA-N
XLogP3.14
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 ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-N-(2-ethylbutyl)-4-N-methylbenzene-1,4-diamine?
The IUPAC name of 4-N-(2-ethylbutyl)-4-N-methylbenzene-1,4-diamine (CID 82929243) is 4-N-(2-ethylbutyl)-4-N-methylbenzene-1,4-diamine.
What is the SMILES notation for 4-N-(2-ethylbutyl)-4-N-methylbenzene-1,4-diamine?
The canonical SMILES for 4-N-(2-ethylbutyl)-4-N-methylbenzene-1,4-diamine is CCC(CC)CN(C)c1ccc(N)cc1.
What is the InChIKey of 4-N-(2-ethylbutyl)-4-N-methylbenzene-1,4-diamine?
The InChIKey is MCJQDVBNCUZQLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2/c1-4-11(5-2)10-15(3)13-8-6-12(14)7-9-13/h6-9,11H,4-5,10,14H2,1-3H3.
What are the key properties of 4-N-(2-ethylbutyl)-4-N-methylbenzene-1,4-diamine?
4-N-(2-ethylbutyl)-4-N-methylbenzene-1,4-diamine has a molecular weight of 206.33 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-ethylbutyl)-4-N-methylbenzene-1,4-diamine is sourced from PubChem (CID 82929243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).