6-N,6-N-dibutyl-3,5-dichloro-2-N-propylpyridine-2,6-diamine

C16H27Cl2N3 — CID 102754456

IUPAC6-N,6-N-dibutyl-3,5-dichloro-2-N-propylpyridine-2,6-diamine
SMILESCCCCN(CCCC)c1nc(NCCC)c(Cl)cc1Cl
InChIInChI=1S/C16H27Cl2N3/c1-4-7-10-21(11-8-5-2)16-14(18)12-13(17)15(20-16)19-9-6-3/h12H,4-11H2,1-3H3,(H,19,20)
InChIKeyZYCKTMVFYSSRAB-UHFFFAOYSA-N
MW332.32 g/mol
LogP5.62
Rot. Bonds10

About 6-N,6-N-dibutyl-3,5-dichloro-2-N-propylpyridine-2,6-diamine

6-N,6-N-dibutyl-3,5-dichloro-2-N-propylpyridine-2,6-diamine (PubChem CID 102754456) has the molecular formula C16H27Cl2N3 and a molecular weight of 332.32 g/mol. Its IUPAC name is 6-N,6-N-dibutyl-3,5-dichloro-2-N-propylpyridine-2,6-diamine.

Molecular Properties

Compound Name6-N,6-N-dibutyl-3,5-dichloro-2-N-propylpyridine-2,6-diamine
PubChem CID102754456
Molecular FormulaC16H27Cl2N3
Molecular Weight332.32 g/mol
Exact Mass331.16
IUPAC Name6-N,6-N-dibutyl-3,5-dichloro-2-N-propylpyridine-2,6-diamine
SMILESCCCCN(CCCC)c1nc(NCCC)c(Cl)cc1Cl
InChIInChI=1S/C16H27Cl2N3/c1-4-7-10-21(11-8-5-2)16-14(18)12-13(17)15(20-16)19-9-6-3/h12H,4-11H2,1-3H3,(H,19,20)
InChIKeyZYCKTMVFYSSRAB-UHFFFAOYSA-N
XLogP5.62
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.32
LogP ≤ 55.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-N-butyl-3,5-dichloro-6-N-cyclopropyl-2-N-propylpyridine-2,6-diamine
CID 102756727
2-[butyl-[3,5-dichloro-6-(ethylamino)-2-pyridinyl]amino]acetamide
CID 102757385
3,5-dichloro-6-N-[4-(dimethylamino)butyl]-2-N-propylpyridine-2,6-diamine
CID 102757675
3,5-dichloro-6-N-[2-(dimethylamino)ethyl]-2-N-ethyl-6-N-propylpyridine-2,6-diamine
CID 102757691
3,5-dichloro-6-N-cyclopropyl-6-N-ethyl-2-N-propylpyridine-2,6-diamine
CID 102755827
3,5-dichloro-6-N-[3-(dimethylamino)propyl]-2-N,6-N-diethylpyridine-2,6-diamine
CID 102998847
3,5-dichloro-6-N-[2-[ethyl(methyl)amino]ethyl]-2-N-propylpyridine-2,6-diamine
CID 102757950
3,5-dichloro-6-N-methyl-6-N-(4-methylphenyl)-2-N-propylpyridine-2,6-diamine
CID 102757734
3,5-dichloro-6-N-(3-fluoropropyl)-2-N-propylpyridine-2,6-diamine
CID 114267273
1-[[[3,5-dichloro-6-(propylamino)-2-pyridinyl]-methylamino]methyl]cyclopentan-1-ol
CID 102760184
3,5-dichloro-6-[3-(dimethylamino)propoxy]-N-propylpyridin-2-amine
CID 102760859
3-[[3,5-dichloro-6-(propylamino)-2-pyridinyl]-methylamino]-2-methylpropanenitrile
CID 102757278

Frequently Asked Questions

What is the IUPAC name of 6-N,6-N-dibutyl-3,5-dichloro-2-N-propylpyridine-2,6-diamine?
The IUPAC name of 6-N,6-N-dibutyl-3,5-dichloro-2-N-propylpyridine-2,6-diamine (CID 102754456) is 6-N,6-N-dibutyl-3,5-dichloro-2-N-propylpyridine-2,6-diamine.
What is the SMILES notation for 6-N,6-N-dibutyl-3,5-dichloro-2-N-propylpyridine-2,6-diamine?
The canonical SMILES for 6-N,6-N-dibutyl-3,5-dichloro-2-N-propylpyridine-2,6-diamine is CCCCN(CCCC)c1nc(NCCC)c(Cl)cc1Cl.
What is the InChIKey of 6-N,6-N-dibutyl-3,5-dichloro-2-N-propylpyridine-2,6-diamine?
The InChIKey is ZYCKTMVFYSSRAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27Cl2N3/c1-4-7-10-21(11-8-5-2)16-14(18)12-13(17)15(20-16)19-9-6-3/h12H,4-11H2,1-3H3,(H,19,20).
What are the key properties of 6-N,6-N-dibutyl-3,5-dichloro-2-N-propylpyridine-2,6-diamine?
6-N,6-N-dibutyl-3,5-dichloro-2-N-propylpyridine-2,6-diamine has a molecular weight of 332.32 g/mol, XLogP of 5.62, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N,6-N-dibutyl-3,5-dichloro-2-N-propylpyridine-2,6-diamine is sourced from PubChem (CID 102754456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).