2-N-(2-ethylhexyl)-6-propoxypyridine-2,5-diamine

C16H29N3O — CID 107819858

IUPAC2-N-(2-ethylhexyl)-6-propoxypyridine-2,5-diamine
SMILESCCCCC(CC)CNc1ccc(N)c(OCCC)n1
InChIInChI=1S/C16H29N3O/c1-4-7-8-13(6-3)12-18-15-10-9-14(17)16(19-15)20-11-5-2/h9-10,13H,4-8,11-12,17H2,1-3H3,(H,18,19)
InChIKeyQUXRAFRJHNCEGY-UHFFFAOYSA-N
MW279.43 g/mol
LogP4.08
Rot. Bonds10

About 2-N-(2-ethylhexyl)-6-propoxypyridine-2,5-diamine

2-N-(2-ethylhexyl)-6-propoxypyridine-2,5-diamine (PubChem CID 107819858) has the molecular formula C16H29N3O and a molecular weight of 279.43 g/mol. Its IUPAC name is 2-N-(2-ethylhexyl)-6-propoxypyridine-2,5-diamine.

Molecular Properties

Compound Name2-N-(2-ethylhexyl)-6-propoxypyridine-2,5-diamine
PubChem CID107819858
Molecular FormulaC16H29N3O
Molecular Weight279.43 g/mol
Exact Mass279.23
IUPAC Name2-N-(2-ethylhexyl)-6-propoxypyridine-2,5-diamine
SMILESCCCCC(CC)CNc1ccc(N)c(OCCC)n1
InChIInChI=1S/C16H29N3O/c1-4-7-8-13(6-3)12-18-15-10-9-14(17)16(19-15)20-11-5-2/h9-10,13H,4-8,11-12,17H2,1-3H3,(H,18,19)
InChIKeyQUXRAFRJHNCEGY-UHFFFAOYSA-N
XLogP4.08
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(2-ethylhexoxy)-2-propoxypyridin-3-amine
CID 43262515
2-N-(5-methylhexyl)-6-propoxypyridine-2,5-diamine
CID 115324707
1-[(5-amino-6-propoxy-2-pyridinyl)amino]-4-methylpentan-2-ol
CID 107151147
2-N-heptan-2-yl-6-propoxypyridine-2,5-diamine
CID 63402628
2-[(5-amino-6-propoxy-2-pyridinyl)amino]-1-cyclopropylethanol
CID 55172554
5-[(5-amino-6-propoxy-2-pyridinyl)amino]-2-methylpentan-1-ol
CID 106154613
2-N-propan-2-yl-6-propoxypyridine-2,5-diamine
CID 43260874
3-[[[5-amino-6-(2-methylpropoxy)-2-pyridinyl]amino]methyl]hexan-1-ol
CID 106113747
N-(2-ethylhexyl)-6-propoxypyrimidin-4-amine
CID 107816415
2-N-[3-(dimethylamino)propyl]-6-propoxypyridine-2,5-diamine
CID 43261174
2-N-(2-ethylhexyl)pyrazine-2,5-diamine
CID 107818873
2-N-(2-methylpentan-3-yl)-6-propoxypyridine-2,5-diamine
CID 54954505

Frequently Asked Questions

What is the IUPAC name of 2-N-(2-ethylhexyl)-6-propoxypyridine-2,5-diamine?
The IUPAC name of 2-N-(2-ethylhexyl)-6-propoxypyridine-2,5-diamine (CID 107819858) is 2-N-(2-ethylhexyl)-6-propoxypyridine-2,5-diamine.
What is the SMILES notation for 2-N-(2-ethylhexyl)-6-propoxypyridine-2,5-diamine?
The canonical SMILES for 2-N-(2-ethylhexyl)-6-propoxypyridine-2,5-diamine is CCCCC(CC)CNc1ccc(N)c(OCCC)n1.
What is the InChIKey of 2-N-(2-ethylhexyl)-6-propoxypyridine-2,5-diamine?
The InChIKey is QUXRAFRJHNCEGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O/c1-4-7-8-13(6-3)12-18-15-10-9-14(17)16(19-15)20-11-5-2/h9-10,13H,4-8,11-12,17H2,1-3H3,(H,18,19).
What are the key properties of 2-N-(2-ethylhexyl)-6-propoxypyridine-2,5-diamine?
2-N-(2-ethylhexyl)-6-propoxypyridine-2,5-diamine has a molecular weight of 279.43 g/mol, XLogP of 4.08, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-ethylhexyl)-6-propoxypyridine-2,5-diamine is sourced from PubChem (CID 107819858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).