6-N-ethyl-6-N-(2-ethylbutyl)pyridine-2,6-diamine

C13H23N3 — CID 80648336

IUPAC6-N-ethyl-6-N-(2-ethylbutyl)pyridine-2,6-diamine
SMILESCCC(CC)CN(CC)c1cccc(N)n1
InChIInChI=1S/C13H23N3/c1-4-11(5-2)10-16(6-3)13-9-7-8-12(14)15-13/h7-9,11H,4-6,10H2,1-3H3,(H2,14,15)
InChIKeyFOJHIZHLBODFLD-UHFFFAOYSA-N
MW221.35 g/mol
LogP2.93
Rot. Bonds6

About 6-N-ethyl-6-N-(2-ethylbutyl)pyridine-2,6-diamine

6-N-ethyl-6-N-(2-ethylbutyl)pyridine-2,6-diamine (PubChem CID 80648336) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is 6-N-ethyl-6-N-(2-ethylbutyl)pyridine-2,6-diamine.

Molecular Properties

Compound Name6-N-ethyl-6-N-(2-ethylbutyl)pyridine-2,6-diamine
PubChem CID80648336
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC Name6-N-ethyl-6-N-(2-ethylbutyl)pyridine-2,6-diamine
SMILESCCC(CC)CN(CC)c1cccc(N)n1
InChIInChI=1S/C13H23N3/c1-4-11(5-2)10-16(6-3)13-9-7-8-12(14)15-13/h7-9,11H,4-6,10H2,1-3H3,(H2,14,15)
InChIKeyFOJHIZHLBODFLD-UHFFFAOYSA-N
XLogP2.93
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-N-ethyl-6-N-(2-ethylbutyl)pyridine-2,6-diamine?
The IUPAC name of 6-N-ethyl-6-N-(2-ethylbutyl)pyridine-2,6-diamine (CID 80648336) is 6-N-ethyl-6-N-(2-ethylbutyl)pyridine-2,6-diamine.
What is the SMILES notation for 6-N-ethyl-6-N-(2-ethylbutyl)pyridine-2,6-diamine?
The canonical SMILES for 6-N-ethyl-6-N-(2-ethylbutyl)pyridine-2,6-diamine is CCC(CC)CN(CC)c1cccc(N)n1.
What is the InChIKey of 6-N-ethyl-6-N-(2-ethylbutyl)pyridine-2,6-diamine?
The InChIKey is FOJHIZHLBODFLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-4-11(5-2)10-16(6-3)13-9-7-8-12(14)15-13/h7-9,11H,4-6,10H2,1-3H3,(H2,14,15).
What are the key properties of 6-N-ethyl-6-N-(2-ethylbutyl)pyridine-2,6-diamine?
6-N-ethyl-6-N-(2-ethylbutyl)pyridine-2,6-diamine has a molecular weight of 221.35 g/mol, XLogP of 2.93, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-ethyl-6-N-(2-ethylbutyl)pyridine-2,6-diamine is sourced from PubChem (CID 80648336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).