3,5-dichloro-N-ethyl-6-(4-methylpentoxy)pyridin-2-amine

C13H20Cl2N2O — CID 102760377

IUPAC3,5-dichloro-N-ethyl-6-(4-methylpentoxy)pyridin-2-amine
SMILESCCNc1nc(OCCCC(C)C)c(Cl)cc1Cl
InChIInChI=1S/C13H20Cl2N2O/c1-4-16-12-10(14)8-11(15)13(17-12)18-7-5-6-9(2)3/h8-9H,4-7H2,1-3H3,(H,16,17)
InChIKeyHUNBVTZNWVIBLS-UHFFFAOYSA-N
MW291.22 g/mol
LogP4.64
Rot. Bonds7

About 3,5-dichloro-N-ethyl-6-(4-methylpentoxy)pyridin-2-amine

3,5-dichloro-N-ethyl-6-(4-methylpentoxy)pyridin-2-amine (PubChem CID 102760377) has the molecular formula C13H20Cl2N2O and a molecular weight of 291.22 g/mol. Its IUPAC name is 3,5-dichloro-N-ethyl-6-(4-methylpentoxy)pyridin-2-amine.

Molecular Properties

Compound Name3,5-dichloro-N-ethyl-6-(4-methylpentoxy)pyridin-2-amine
PubChem CID102760377
Molecular FormulaC13H20Cl2N2O
Molecular Weight291.22 g/mol
Exact Mass290.10
IUPAC Name3,5-dichloro-N-ethyl-6-(4-methylpentoxy)pyridin-2-amine
SMILESCCNc1nc(OCCCC(C)C)c(Cl)cc1Cl
InChIInChI=1S/C13H20Cl2N2O/c1-4-16-12-10(14)8-11(15)13(17-12)18-7-5-6-9(2)3/h8-9H,4-7H2,1-3H3,(H,16,17)
InChIKeyHUNBVTZNWVIBLS-UHFFFAOYSA-N
XLogP4.64
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.22
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-(2-butoxyethoxy)-3,5-dichloro-N-ethylpyridin-2-amine
CID 102760364
3,5-dichloro-N-ethyl-6-(4,4,4-trifluorobutoxy)pyridin-2-amine
CID 102761118
2,3,5-trichloro-6-(4-methylpentoxy)pyridine
CID 102749440
6-but-3-ynoxy-3,5-dichloro-N-ethylpyridin-2-amine
CID 106795649
3,5-dichloro-N-ethyl-6-(3-methoxy-3-methylbutoxy)pyridin-2-amine
CID 106669249
3,5-dichloro-N-ethyl-6-pentan-2-yloxypyridin-2-amine
CID 102989506
6-butoxy-3,5-dichloro-N-methylpyridin-2-amine
CID 102760529
5-chloro-N-ethyl-4-(3-methylbutoxy)pyrimidin-2-amine
CID 80858510
3,5-dichloro-6-[3-(dimethylamino)propoxy]-N-propylpyridin-2-amine
CID 102760859
3,5-dichloro-6-(2-methylpentoxy)-N-propylpyridin-2-amine
CID 103286396
3,5,6-trichloro-N-ethylpyridin-2-amine
CID 102750177
(3,5-dichloro-6-pentoxy-2-pyridinyl)hydrazine
CID 102762767

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-ethyl-6-(4-methylpentoxy)pyridin-2-amine?
The IUPAC name of 3,5-dichloro-N-ethyl-6-(4-methylpentoxy)pyridin-2-amine (CID 102760377) is 3,5-dichloro-N-ethyl-6-(4-methylpentoxy)pyridin-2-amine.
What is the SMILES notation for 3,5-dichloro-N-ethyl-6-(4-methylpentoxy)pyridin-2-amine?
The canonical SMILES for 3,5-dichloro-N-ethyl-6-(4-methylpentoxy)pyridin-2-amine is CCNc1nc(OCCCC(C)C)c(Cl)cc1Cl.
What is the InChIKey of 3,5-dichloro-N-ethyl-6-(4-methylpentoxy)pyridin-2-amine?
The InChIKey is HUNBVTZNWVIBLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20Cl2N2O/c1-4-16-12-10(14)8-11(15)13(17-12)18-7-5-6-9(2)3/h8-9H,4-7H2,1-3H3,(H,16,17).
What are the key properties of 3,5-dichloro-N-ethyl-6-(4-methylpentoxy)pyridin-2-amine?
3,5-dichloro-N-ethyl-6-(4-methylpentoxy)pyridin-2-amine has a molecular weight of 291.22 g/mol, XLogP of 4.64, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-ethyl-6-(4-methylpentoxy)pyridin-2-amine is sourced from PubChem (CID 102760377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).