3,5-dichloro-2-N-ethyl-6-N-octan-4-ylpyridine-2,6-diamine

C15H25Cl2N3 — CID 106028744

IUPAC3,5-dichloro-2-N-ethyl-6-N-octan-4-ylpyridine-2,6-diamine
SMILESCCCCC(CCC)Nc1nc(NCC)c(Cl)cc1Cl
InChIInChI=1S/C15H25Cl2N3/c1-4-7-9-11(8-5-2)19-15-13(17)10-12(16)14(20-15)18-6-3/h10-11H,4-9H2,1-3H3,(H2,18,19,20)
InChIKeyVGQQONBNUDYBSY-UHFFFAOYSA-N
MW318.29 g/mol
LogP5.59
Rot. Bonds9

About 3,5-dichloro-2-N-ethyl-6-N-octan-4-ylpyridine-2,6-diamine

3,5-dichloro-2-N-ethyl-6-N-octan-4-ylpyridine-2,6-diamine (PubChem CID 106028744) has the molecular formula C15H25Cl2N3 and a molecular weight of 318.29 g/mol. Its IUPAC name is 3,5-dichloro-2-N-ethyl-6-N-octan-4-ylpyridine-2,6-diamine.

Molecular Properties

Compound Name3,5-dichloro-2-N-ethyl-6-N-octan-4-ylpyridine-2,6-diamine
PubChem CID106028744
Molecular FormulaC15H25Cl2N3
Molecular Weight318.29 g/mol
Exact Mass317.14
IUPAC Name3,5-dichloro-2-N-ethyl-6-N-octan-4-ylpyridine-2,6-diamine
SMILESCCCCC(CCC)Nc1nc(NCC)c(Cl)cc1Cl
InChIInChI=1S/C15H25Cl2N3/c1-4-7-9-11(8-5-2)19-15-13(17)10-12(16)14(20-15)18-6-3/h10-11H,4-9H2,1-3H3,(H2,18,19,20)
InChIKeyVGQQONBNUDYBSY-UHFFFAOYSA-N
XLogP5.59
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.29
LogP ≤ 55.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-dichloro-2-N-ethyl-6-N-pentan-2-ylpyridine-2,6-diamine
CID 102755564
5-chloro-4-N-octan-4-yl-2-N-propylpyrimidine-2,4-diamine
CID 106028695
6-butyl-3,5-dichloro-N-ethylpyridin-2-amine
CID 106659441
6-(2-butoxyethoxy)-3,5-dichloro-N-ethylpyridin-2-amine
CID 102760364
3,5-dichloro-N-ethyl-6-pentan-2-yloxypyridin-2-amine
CID 102989506
6-N-ethyl-2-methyl-4-N-octan-4-ylpyrimidine-4,6-diamine
CID 106028897
3,5,6-trichloro-N-ethylpyridin-2-amine
CID 102750177
3,5-dichloro-N-ethyl-6-methylpyridin-2-amine
CID 102753093
3,5-dichloro-2-N-ethyl-6-N-[1-(oxolan-3-yl)ethyl]pyridine-2,6-diamine
CID 102760091
3,5-dichloro-2-N-ethyl-6-N-(1-phenylpropan-2-yl)pyridine-2,6-diamine
CID 102758123
3,5-dichloro-6-N-hexan-2-ylpyridine-2,6-diamine
CID 102757808
3,5-dichloro-6-N-ethylpyridine-2,6-diamine
CID 102755516

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-2-N-ethyl-6-N-octan-4-ylpyridine-2,6-diamine?
The IUPAC name of 3,5-dichloro-2-N-ethyl-6-N-octan-4-ylpyridine-2,6-diamine (CID 106028744) is 3,5-dichloro-2-N-ethyl-6-N-octan-4-ylpyridine-2,6-diamine.
What is the SMILES notation for 3,5-dichloro-2-N-ethyl-6-N-octan-4-ylpyridine-2,6-diamine?
The canonical SMILES for 3,5-dichloro-2-N-ethyl-6-N-octan-4-ylpyridine-2,6-diamine is CCCCC(CCC)Nc1nc(NCC)c(Cl)cc1Cl.
What is the InChIKey of 3,5-dichloro-2-N-ethyl-6-N-octan-4-ylpyridine-2,6-diamine?
The InChIKey is VGQQONBNUDYBSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25Cl2N3/c1-4-7-9-11(8-5-2)19-15-13(17)10-12(16)14(20-15)18-6-3/h10-11H,4-9H2,1-3H3,(H2,18,19,20).
What are the key properties of 3,5-dichloro-2-N-ethyl-6-N-octan-4-ylpyridine-2,6-diamine?
3,5-dichloro-2-N-ethyl-6-N-octan-4-ylpyridine-2,6-diamine has a molecular weight of 318.29 g/mol, XLogP of 5.59, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-2-N-ethyl-6-N-octan-4-ylpyridine-2,6-diamine is sourced from PubChem (CID 106028744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).