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

C14H21Cl3N2 — CID 102751554

IUPAC3,5,6-trichloro-N-(2,2-dimethylheptyl)pyridin-2-amine
SMILESCCCCCC(C)(C)CNc1nc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C14H21Cl3N2/c1-4-5-6-7-14(2,3)9-18-13-11(16)8-10(15)12(17)19-13/h8H,4-7,9H2,1-3H3,(H,18,19)
InChIKeyFVKZUJPGUCUYBT-UHFFFAOYSA-N
MW323.70 g/mol
LogP6.06
Rot. Bonds7

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

3,5,6-trichloro-N-(2,2-dimethylheptyl)pyridin-2-amine (PubChem CID 102751554) has the molecular formula C14H21Cl3N2 and a molecular weight of 323.70 g/mol. Its IUPAC name is 3,5,6-trichloro-N-(2,2-dimethylheptyl)pyridin-2-amine.

Molecular Properties

Compound Name3,5,6-trichloro-N-(2,2-dimethylheptyl)pyridin-2-amine
PubChem CID102751554
Molecular FormulaC14H21Cl3N2
Molecular Weight323.70 g/mol
Exact Mass322.08
IUPAC Name3,5,6-trichloro-N-(2,2-dimethylheptyl)pyridin-2-amine
SMILESCCCCCC(C)(C)CNc1nc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C14H21Cl3N2/c1-4-5-6-7-14(2,3)9-18-13-11(16)8-10(15)12(17)19-13/h8H,4-7,9H2,1-3H3,(H,18,19)
InChIKeyFVKZUJPGUCUYBT-UHFFFAOYSA-N
XLogP6.06
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.70
LogP ≤ 56.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,5,6-trichloro-N-(2,2-dimethylheptyl)pyridin-2-amine?
The IUPAC name of 3,5,6-trichloro-N-(2,2-dimethylheptyl)pyridin-2-amine (CID 102751554) is 3,5,6-trichloro-N-(2,2-dimethylheptyl)pyridin-2-amine.
What is the SMILES notation for 3,5,6-trichloro-N-(2,2-dimethylheptyl)pyridin-2-amine?
The canonical SMILES for 3,5,6-trichloro-N-(2,2-dimethylheptyl)pyridin-2-amine is CCCCCC(C)(C)CNc1nc(Cl)c(Cl)cc1Cl.
What is the InChIKey of 3,5,6-trichloro-N-(2,2-dimethylheptyl)pyridin-2-amine?
The InChIKey is FVKZUJPGUCUYBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21Cl3N2/c1-4-5-6-7-14(2,3)9-18-13-11(16)8-10(15)12(17)19-13/h8H,4-7,9H2,1-3H3,(H,18,19).
What are the key properties of 3,5,6-trichloro-N-(2,2-dimethylheptyl)pyridin-2-amine?
3,5,6-trichloro-N-(2,2-dimethylheptyl)pyridin-2-amine has a molecular weight of 323.70 g/mol, XLogP of 6.06, 7 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-(2,2-dimethylheptyl)pyridin-2-amine is sourced from PubChem (CID 102751554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).