3,5,6-trichloro-N-(2,3,3-trimethylbutyl)pyridin-2-amine

C12H17Cl3N2 — CID 102751738

IUPAC3,5,6-trichloro-N-(2,3,3-trimethylbutyl)pyridin-2-amine
SMILESCC(CNc1nc(Cl)c(Cl)cc1Cl)C(C)(C)C
InChIInChI=1S/C12H17Cl3N2/c1-7(12(2,3)4)6-16-11-9(14)5-8(13)10(15)17-11/h5,7H,6H2,1-4H3,(H,16,17)
InChIKeyXBBMHHZNPUJHMY-UHFFFAOYSA-N
MW295.64 g/mol
LogP5.14
Rot. Bonds3

About 3,5,6-trichloro-N-(2,3,3-trimethylbutyl)pyridin-2-amine

3,5,6-trichloro-N-(2,3,3-trimethylbutyl)pyridin-2-amine (PubChem CID 102751738) has the molecular formula C12H17Cl3N2 and a molecular weight of 295.64 g/mol. Its IUPAC name is 3,5,6-trichloro-N-(2,3,3-trimethylbutyl)pyridin-2-amine.

Molecular Properties

Compound Name3,5,6-trichloro-N-(2,3,3-trimethylbutyl)pyridin-2-amine
PubChem CID102751738
Molecular FormulaC12H17Cl3N2
Molecular Weight295.64 g/mol
Exact Mass294.05
IUPAC Name3,5,6-trichloro-N-(2,3,3-trimethylbutyl)pyridin-2-amine
SMILESCC(CNc1nc(Cl)c(Cl)cc1Cl)C(C)(C)C
InChIInChI=1S/C12H17Cl3N2/c1-7(12(2,3)4)6-16-11-9(14)5-8(13)10(15)17-11/h5,7H,6H2,1-4H3,(H,16,17)
InChIKeyXBBMHHZNPUJHMY-UHFFFAOYSA-N
XLogP5.14
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.64
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-1-[(3,5,6-trichloro-2-pyridinyl)amino]butan-2-ol
CID 102751939
1-[(3,5,6-trichloro-2-pyridinyl)amino]propan-2-ol
CID 102750353
3,5,6-trichloro-N-(2-ethylbutyl)pyridin-2-amine
CID 102751998
3,5,6-trichloro-N-ethylpyridin-2-amine
CID 102750177
3,5,6-trichloro-N-(3-methylpentan-2-yl)pyridin-2-amine
CID 102750625
3,5,6-trichloro-N-(3-methylsulfanylbutyl)pyridin-2-amine
CID 102751944
3,5,6-trichloro-N-(2,2,3,3-tetrafluoropropyl)pyridin-2-amine
CID 106293428
1-[[3,5-dichloro-6-(ethylamino)-2-pyridinyl]amino]-3-methylbutan-2-ol
CID 102759945
3,5,6-trichloro-N-(2,2-dimethylheptyl)pyridin-2-amine
CID 102751554
3,5,6-trichloro-N-(1-cyclopropylpropan-2-yl)pyridin-2-amine
CID 102751177
3,5,6-trichloro-N-decylpyridin-2-amine
CID 102751515
3,6-dichloro-N-(2,3,3-trimethylbutyl)pyridazin-4-amine
CID 83143505

Frequently Asked Questions

What is the IUPAC name of 3,5,6-trichloro-N-(2,3,3-trimethylbutyl)pyridin-2-amine?
The IUPAC name of 3,5,6-trichloro-N-(2,3,3-trimethylbutyl)pyridin-2-amine (CID 102751738) is 3,5,6-trichloro-N-(2,3,3-trimethylbutyl)pyridin-2-amine.
What is the SMILES notation for 3,5,6-trichloro-N-(2,3,3-trimethylbutyl)pyridin-2-amine?
The canonical SMILES for 3,5,6-trichloro-N-(2,3,3-trimethylbutyl)pyridin-2-amine is CC(CNc1nc(Cl)c(Cl)cc1Cl)C(C)(C)C.
What is the InChIKey of 3,5,6-trichloro-N-(2,3,3-trimethylbutyl)pyridin-2-amine?
The InChIKey is XBBMHHZNPUJHMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17Cl3N2/c1-7(12(2,3)4)6-16-11-9(14)5-8(13)10(15)17-11/h5,7H,6H2,1-4H3,(H,16,17).
What are the key properties of 3,5,6-trichloro-N-(2,3,3-trimethylbutyl)pyridin-2-amine?
3,5,6-trichloro-N-(2,3,3-trimethylbutyl)pyridin-2-amine has a molecular weight of 295.64 g/mol, XLogP of 5.14, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5,6-trichloro-N-(2,3,3-trimethylbutyl)pyridin-2-amine is sourced from PubChem (CID 102751738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).