2-N-ethyl-4-N-(2-ethylhexyl)pyridine-2,4-diamine

C15H27N3 — CID 107819048

IUPAC2-N-ethyl-4-N-(2-ethylhexyl)pyridine-2,4-diamine
SMILESCCCCC(CC)CNc1ccnc(NCC)c1
InChIInChI=1S/C15H27N3/c1-4-7-8-13(5-2)12-18-14-9-10-17-15(11-14)16-6-3/h9-11,13H,4-8,12H2,1-3H3,(H2,16,17,18)
InChIKeyWWQVUEPELFJGQS-UHFFFAOYSA-N
MW249.40 g/mol
LogP4.14
Rot. Bonds9

About 2-N-ethyl-4-N-(2-ethylhexyl)pyridine-2,4-diamine

2-N-ethyl-4-N-(2-ethylhexyl)pyridine-2,4-diamine (PubChem CID 107819048) has the molecular formula C15H27N3 and a molecular weight of 249.40 g/mol. Its IUPAC name is 2-N-ethyl-4-N-(2-ethylhexyl)pyridine-2,4-diamine.

Molecular Properties

Compound Name2-N-ethyl-4-N-(2-ethylhexyl)pyridine-2,4-diamine
PubChem CID107819048
Molecular FormulaC15H27N3
Molecular Weight249.40 g/mol
Exact Mass249.22
IUPAC Name2-N-ethyl-4-N-(2-ethylhexyl)pyridine-2,4-diamine
SMILESCCCCC(CC)CNc1ccnc(NCC)c1
InChIInChI=1S/C15H27N3/c1-4-7-8-13(5-2)12-18-14-9-10-17-15(11-14)16-6-3/h9-11,13H,4-8,12H2,1-3H3,(H2,16,17,18)
InChIKeyWWQVUEPELFJGQS-UHFFFAOYSA-N
XLogP4.14
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[2-(ethylamino)-4-pyridinyl]amino]-4-methylpentan-2-ol
CID 107159665
3,4-diethoxy-N-(2-ethylhexyl)aniline
CID 63489493
4-N-(2-ethylhexyl)-2-methylbenzene-1,4-diamine
CID 107819815
3-N-(2-ethylhexyl)benzene-1,3-diamine
CID 107819836
4-N-[(2R)-2-ethylhexyl]-6-N-methylpyrimidine-4,6-diamine
CID 129414271
6-ethyl-N-(2-ethylhexyl)pyrimidin-4-amine
CID 107816361
5-[[2-(ethylamino)-4-pyridinyl]amino]-2-methylpentan-1-ol
CID 114152288
4-(chloromethyl)-N-(2-ethylhexyl)aniline
CID 65026136
N-(2-ethylhexyl)-6-propoxypyrimidin-4-amine
CID 107816415
methyl 4-(2-ethylhexylamino)pyrimidine-2-carboxylate
CID 107816442
N-(2-ethylhexyl)-1-[8-[4-(2-ethylhexylamino)pyridin-1-ium-1-yl]octyl]pyridin-1-ium-4-amine
CID 3049393
2-N-(2-ethylhexyl)pyrazine-2,5-diamine
CID 107818873

Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-4-N-(2-ethylhexyl)pyridine-2,4-diamine?
The IUPAC name of 2-N-ethyl-4-N-(2-ethylhexyl)pyridine-2,4-diamine (CID 107819048) is 2-N-ethyl-4-N-(2-ethylhexyl)pyridine-2,4-diamine.
What is the SMILES notation for 2-N-ethyl-4-N-(2-ethylhexyl)pyridine-2,4-diamine?
The canonical SMILES for 2-N-ethyl-4-N-(2-ethylhexyl)pyridine-2,4-diamine is CCCCC(CC)CNc1ccnc(NCC)c1.
What is the InChIKey of 2-N-ethyl-4-N-(2-ethylhexyl)pyridine-2,4-diamine?
The InChIKey is WWQVUEPELFJGQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3/c1-4-7-8-13(5-2)12-18-14-9-10-17-15(11-14)16-6-3/h9-11,13H,4-8,12H2,1-3H3,(H2,16,17,18).
What are the key properties of 2-N-ethyl-4-N-(2-ethylhexyl)pyridine-2,4-diamine?
2-N-ethyl-4-N-(2-ethylhexyl)pyridine-2,4-diamine has a molecular weight of 249.40 g/mol, XLogP of 4.14, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-4-N-(2-ethylhexyl)pyridine-2,4-diamine is sourced from PubChem (CID 107819048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).