3,5,6-trichloro-N-(3,3-dimethylbutan-2-yl)-N-methylpyridin-2-amine

C12H17Cl3N2 — CID 102750806

IUPAC3,5,6-trichloro-N-(3,3-dimethylbutan-2-yl)-N-methylpyridin-2-amine
SMILESCC(N(C)c1nc(Cl)c(Cl)cc1Cl)C(C)(C)C
InChIInChI=1S/C12H17Cl3N2/c1-7(12(2,3)4)17(5)11-9(14)6-8(13)10(15)16-11/h6-7H,1-5H3
InChIKeyFRKHWASQMRGOPQ-UHFFFAOYSA-N
MW295.64 g/mol
LogP4.91
Rot. Bonds2

About 3,5,6-trichloro-N-(3,3-dimethylbutan-2-yl)-N-methylpyridin-2-amine

3,5,6-trichloro-N-(3,3-dimethylbutan-2-yl)-N-methylpyridin-2-amine (PubChem CID 102750806) has the molecular formula C12H17Cl3N2 and a molecular weight of 295.64 g/mol. Its IUPAC name is 3,5,6-trichloro-N-(3,3-dimethylbutan-2-yl)-N-methylpyridin-2-amine.

Molecular Properties

Compound Name3,5,6-trichloro-N-(3,3-dimethylbutan-2-yl)-N-methylpyridin-2-amine
PubChem CID102750806
Molecular FormulaC12H17Cl3N2
Molecular Weight295.64 g/mol
Exact Mass294.05
IUPAC Name3,5,6-trichloro-N-(3,3-dimethylbutan-2-yl)-N-methylpyridin-2-amine
SMILESCC(N(C)c1nc(Cl)c(Cl)cc1Cl)C(C)(C)C
InChIInChI=1S/C12H17Cl3N2/c1-7(12(2,3)4)17(5)11-9(14)6-8(13)10(15)16-11/h6-7H,1-5H3
InChIKeyFRKHWASQMRGOPQ-UHFFFAOYSA-N
XLogP4.91
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.64
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

3,5-dichloro-6-N-(3,3-dimethylbutan-2-yl)-2-N-ethyl-6-N-methylpyridine-2,6-diamine
CID 102757406
3,5,6-trichloro-N-methyl-N-pentan-3-ylpyridin-2-amine
CID 102750408
3,5,6-trichloro-N-cyclopentyl-N-methylpyridin-2-amine
CID 102750299
6-chloro-N-(3,3-dimethylbutan-2-yl)-2-ethyl-N,5-dimethylpyrimidin-4-amine
CID 80972382
6-chloro-N-(3,3-dimethylbutan-2-yl)-5-ethyl-N-methylpyrimidin-4-amine
CID 63728486
3,5,6-trichloro-N-methyl-N-(3,3,3-trifluoropropyl)pyridin-2-amine
CID 102751324
5,6-dichloro-N-(3,3-dimethylbutan-2-yl)-N-methylpyridine-3-sulfonamide
CID 64608400
3,5-dichloro-2-N-ethyl-6-N-methyl-6-N-propan-2-ylpyridine-2,6-diamine
CID 102755335
(1R)-1-[3-chloro-4-[3,3-dimethylbutan-2-yl(methyl)amino]phenyl]ethanol
CID 63372657
6-chloro-N-(3,3-dimethylbutan-2-yl)-N-methyl-2-methylsulfanylpyrimidin-4-amine
CID 80545306
3,5,6-trichloro-N-(2,3,3-trimethylbutyl)pyridin-2-amine
CID 102751738
3-(aminomethyl)-N-(3,3-dimethylbutan-2-yl)-N,4,6-trimethylpyridin-2-amine
CID 55006873

Frequently Asked Questions

What is the IUPAC name of 3,5,6-trichloro-N-(3,3-dimethylbutan-2-yl)-N-methylpyridin-2-amine?
The IUPAC name of 3,5,6-trichloro-N-(3,3-dimethylbutan-2-yl)-N-methylpyridin-2-amine (CID 102750806) is 3,5,6-trichloro-N-(3,3-dimethylbutan-2-yl)-N-methylpyridin-2-amine.
What is the SMILES notation for 3,5,6-trichloro-N-(3,3-dimethylbutan-2-yl)-N-methylpyridin-2-amine?
The canonical SMILES for 3,5,6-trichloro-N-(3,3-dimethylbutan-2-yl)-N-methylpyridin-2-amine is CC(N(C)c1nc(Cl)c(Cl)cc1Cl)C(C)(C)C.
What is the InChIKey of 3,5,6-trichloro-N-(3,3-dimethylbutan-2-yl)-N-methylpyridin-2-amine?
The InChIKey is FRKHWASQMRGOPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17Cl3N2/c1-7(12(2,3)4)17(5)11-9(14)6-8(13)10(15)16-11/h6-7H,1-5H3.
What are the key properties of 3,5,6-trichloro-N-(3,3-dimethylbutan-2-yl)-N-methylpyridin-2-amine?
3,5,6-trichloro-N-(3,3-dimethylbutan-2-yl)-N-methylpyridin-2-amine has a molecular weight of 295.64 g/mol, XLogP of 4.91, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5,6-trichloro-N-(3,3-dimethylbutan-2-yl)-N-methylpyridin-2-amine is sourced from PubChem (CID 102750806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).