3,5,6-trichloro-N-methyl-N-pentan-3-ylpyridin-2-amine

C11H15Cl3N2 — CID 102750408

IUPAC3,5,6-trichloro-N-methyl-N-pentan-3-ylpyridin-2-amine
SMILESCCC(CC)N(C)c1nc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C11H15Cl3N2/c1-4-7(5-2)16(3)11-9(13)6-8(12)10(14)15-11/h6-7H,4-5H2,1-3H3
InChIKeyFVFPBQWAFCSSLS-UHFFFAOYSA-N
MW281.61 g/mol
LogP4.67
Rot. Bonds4

About 3,5,6-trichloro-N-methyl-N-pentan-3-ylpyridin-2-amine

3,5,6-trichloro-N-methyl-N-pentan-3-ylpyridin-2-amine (PubChem CID 102750408) has the molecular formula C11H15Cl3N2 and a molecular weight of 281.61 g/mol. Its IUPAC name is 3,5,6-trichloro-N-methyl-N-pentan-3-ylpyridin-2-amine.

Molecular Properties

Compound Name3,5,6-trichloro-N-methyl-N-pentan-3-ylpyridin-2-amine
PubChem CID102750408
Molecular FormulaC11H15Cl3N2
Molecular Weight281.61 g/mol
Exact Mass280.03
IUPAC Name3,5,6-trichloro-N-methyl-N-pentan-3-ylpyridin-2-amine
SMILESCCC(CC)N(C)c1nc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C11H15Cl3N2/c1-4-7(5-2)16(3)11-9(13)6-8(12)10(14)15-11/h6-7H,4-5H2,1-3H3
InChIKeyFVFPBQWAFCSSLS-UHFFFAOYSA-N
XLogP4.67
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.61
LogP ≤ 54.67
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

3,5,6-trichloro-N-(3,3-dimethylbutan-2-yl)-N-methylpyridin-2-amine
CID 102750806
3,5-dichloro-6-hydrazinyl-N-methyl-N-(1-methylsulfanylbutan-2-yl)pyridin-2-amine
CID 102762521
N-butan-2-yl-3,5,6-trichloro-N-(2-methoxyethyl)pyridin-2-amine
CID 102750784
3,5,6-trichloro-N-cyclopentyl-N-methylpyridin-2-amine
CID 102750299
3,5,6-trichloro-N-methyl-N-(3,3,3-trifluoropropyl)pyridin-2-amine
CID 102751324
3,5,6-trichloro-N-[[1-(dimethylamino)cyclobutyl]methyl]-N-methylpyridin-2-amine
CID 102752109
3,5-dichloro-2-N-ethyl-6-N-methyl-6-N-propan-2-ylpyridine-2,6-diamine
CID 102755335
5-chloro-4-N-methyl-4-N-(1-methylsulfanylbutan-2-yl)pyrimidine-2,4-diamine
CID 112667834
3,5,6-trichloro-N-(3-methylpentan-2-yl)pyridin-2-amine
CID 102750625
2-[[3,5-dichloro-6-(methylamino)-2-pyridinyl]-methylamino]propan-1-ol
CID 102759773
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-ethyl-N-(3-methylphenyl)pyridin-2-amine
CID 102750483

Frequently Asked Questions

What is the IUPAC name of 3,5,6-trichloro-N-methyl-N-pentan-3-ylpyridin-2-amine?
The IUPAC name of 3,5,6-trichloro-N-methyl-N-pentan-3-ylpyridin-2-amine (CID 102750408) is 3,5,6-trichloro-N-methyl-N-pentan-3-ylpyridin-2-amine.
What is the SMILES notation for 3,5,6-trichloro-N-methyl-N-pentan-3-ylpyridin-2-amine?
The canonical SMILES for 3,5,6-trichloro-N-methyl-N-pentan-3-ylpyridin-2-amine is CCC(CC)N(C)c1nc(Cl)c(Cl)cc1Cl.
What is the InChIKey of 3,5,6-trichloro-N-methyl-N-pentan-3-ylpyridin-2-amine?
The InChIKey is FVFPBQWAFCSSLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15Cl3N2/c1-4-7(5-2)16(3)11-9(13)6-8(12)10(14)15-11/h6-7H,4-5H2,1-3H3.
What are the key properties of 3,5,6-trichloro-N-methyl-N-pentan-3-ylpyridin-2-amine?
3,5,6-trichloro-N-methyl-N-pentan-3-ylpyridin-2-amine has a molecular weight of 281.61 g/mol, XLogP of 4.67, 4 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-methyl-N-pentan-3-ylpyridin-2-amine is sourced from PubChem (CID 102750408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).