3,5-dichloro-6-N-(3,3-dimethylbutan-2-yl)-2-N-ethyl-6-N-methylpyridine-2,6-diamine

C14H23Cl2N3 — CID 102757406

IUPAC3,5-dichloro-6-N-(3,3-dimethylbutan-2-yl)-2-N-ethyl-6-N-methylpyridine-2,6-diamine
SMILESCCNc1nc(N(C)C(C)C(C)(C)C)c(Cl)cc1Cl
InChIInChI=1S/C14H23Cl2N3/c1-7-17-12-10(15)8-11(16)13(18-12)19(6)9(2)14(3,4)5/h8-9H,7H2,1-6H3,(H,17,18)
InChIKeyLIGKPTZACFPVMV-UHFFFAOYSA-N
MW304.27 g/mol
LogP4.69
Rot. Bonds4

About 3,5-dichloro-6-N-(3,3-dimethylbutan-2-yl)-2-N-ethyl-6-N-methylpyridine-2,6-diamine

3,5-dichloro-6-N-(3,3-dimethylbutan-2-yl)-2-N-ethyl-6-N-methylpyridine-2,6-diamine (PubChem CID 102757406) has the molecular formula C14H23Cl2N3 and a molecular weight of 304.27 g/mol. Its IUPAC name is 3,5-dichloro-6-N-(3,3-dimethylbutan-2-yl)-2-N-ethyl-6-N-methylpyridine-2,6-diamine.

Molecular Properties

Compound Name3,5-dichloro-6-N-(3,3-dimethylbutan-2-yl)-2-N-ethyl-6-N-methylpyridine-2,6-diamine
PubChem CID102757406
Molecular FormulaC14H23Cl2N3
Molecular Weight304.27 g/mol
Exact Mass303.13
IUPAC Name3,5-dichloro-6-N-(3,3-dimethylbutan-2-yl)-2-N-ethyl-6-N-methylpyridine-2,6-diamine
SMILESCCNc1nc(N(C)C(C)C(C)(C)C)c(Cl)cc1Cl
InChIInChI=1S/C14H23Cl2N3/c1-7-17-12-10(15)8-11(16)13(18-12)19(6)9(2)14(3,4)5/h8-9H,7H2,1-6H3,(H,17,18)
InChIKeyLIGKPTZACFPVMV-UHFFFAOYSA-N
XLogP4.69
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.27
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3,5-dichloro-6-N-(3,3-dimethylbutan-2-yl)-2-N-ethyl-6-N-methylpyridine-2,6-diamine with MolForge

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Related Compounds

3,5-dichloro-2-N-ethyl-6-N-methyl-6-N-propan-2-ylpyridine-2,6-diamine
CID 102755335
3,5,6-trichloro-N-(3,3-dimethylbutan-2-yl)-N-methylpyridin-2-amine
CID 102750806
2-[[3,5-dichloro-6-(ethylamino)-2-pyridinyl]-methylamino]-N-propan-2-ylacetamide
CID 102757357
3,5-dichloro-6-N-[2-(dimethylamino)ethyl]-2-N-ethyl-6-N-propylpyridine-2,6-diamine
CID 102757691
2-[[3,5-dichloro-6-(methylamino)-2-pyridinyl]-methylamino]propan-1-ol
CID 102759773
3,5-dichloro-6-N-[3-(dimethylamino)propyl]-2-N,6-N-diethylpyridine-2,6-diamine
CID 102998847
3,5,6-trichloro-N-ethylpyridin-2-amine
CID 102750177
1-[[3,5-dichloro-6-(ethylamino)-2-pyridinyl]amino]-3-methylbutan-2-ol
CID 102759945
3,5-dichloro-6-N-methyl-6-N-(4-methylsulfanylbutan-2-yl)-2-N-propylpyridine-2,6-diamine
CID 102760077
3-[[3,5-dichloro-6-(ethylamino)-2-pyridinyl]-methylamino]benzonitrile
CID 102758060
3,5-dichloro-N-ethyl-6-methylpyridin-2-amine
CID 102753093
3,5-dichloro-6-hydrazinyl-N-(1-methoxypropan-2-yl)-N-methylpyridin-2-amine
CID 102761760

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-6-N-(3,3-dimethylbutan-2-yl)-2-N-ethyl-6-N-methylpyridine-2,6-diamine?
The IUPAC name of 3,5-dichloro-6-N-(3,3-dimethylbutan-2-yl)-2-N-ethyl-6-N-methylpyridine-2,6-diamine (CID 102757406) is 3,5-dichloro-6-N-(3,3-dimethylbutan-2-yl)-2-N-ethyl-6-N-methylpyridine-2,6-diamine.
What is the SMILES notation for 3,5-dichloro-6-N-(3,3-dimethylbutan-2-yl)-2-N-ethyl-6-N-methylpyridine-2,6-diamine?
The canonical SMILES for 3,5-dichloro-6-N-(3,3-dimethylbutan-2-yl)-2-N-ethyl-6-N-methylpyridine-2,6-diamine is CCNc1nc(N(C)C(C)C(C)(C)C)c(Cl)cc1Cl.
What is the InChIKey of 3,5-dichloro-6-N-(3,3-dimethylbutan-2-yl)-2-N-ethyl-6-N-methylpyridine-2,6-diamine?
The InChIKey is LIGKPTZACFPVMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23Cl2N3/c1-7-17-12-10(15)8-11(16)13(18-12)19(6)9(2)14(3,4)5/h8-9H,7H2,1-6H3,(H,17,18).
What are the key properties of 3,5-dichloro-6-N-(3,3-dimethylbutan-2-yl)-2-N-ethyl-6-N-methylpyridine-2,6-diamine?
3,5-dichloro-6-N-(3,3-dimethylbutan-2-yl)-2-N-ethyl-6-N-methylpyridine-2,6-diamine has a molecular weight of 304.27 g/mol, XLogP of 4.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-6-N-(3,3-dimethylbutan-2-yl)-2-N-ethyl-6-N-methylpyridine-2,6-diamine is sourced from PubChem (CID 102757406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).