3,5,6-trichloro-N-(4-ethylcyclohexyl)pyridin-2-amine

C13H17Cl3N2 — CID 102750636

IUPAC3,5,6-trichloro-N-(4-ethylcyclohexyl)pyridin-2-amine
SMILESCCC1CCC(Nc2nc(Cl)c(Cl)cc2Cl)CC1
InChIInChI=1S/C13H17Cl3N2/c1-2-8-3-5-9(6-4-8)17-13-11(15)7-10(14)12(16)18-13/h7-9H,2-6H2,1H3,(H,17,18)
InChIKeyHGGCDMNJWSIKIJ-UHFFFAOYSA-N
MW307.65 g/mol
LogP5.42
Rot. Bonds3

About 3,5,6-trichloro-N-(4-ethylcyclohexyl)pyridin-2-amine

3,5,6-trichloro-N-(4-ethylcyclohexyl)pyridin-2-amine (PubChem CID 102750636) has the molecular formula C13H17Cl3N2 and a molecular weight of 307.65 g/mol. Its IUPAC name is 3,5,6-trichloro-N-(4-ethylcyclohexyl)pyridin-2-amine.

Molecular Properties

Compound Name3,5,6-trichloro-N-(4-ethylcyclohexyl)pyridin-2-amine
PubChem CID102750636
Molecular FormulaC13H17Cl3N2
Molecular Weight307.65 g/mol
Exact Mass306.05
IUPAC Name3,5,6-trichloro-N-(4-ethylcyclohexyl)pyridin-2-amine
SMILESCCC1CCC(Nc2nc(Cl)c(Cl)cc2Cl)CC1
InChIInChI=1S/C13H17Cl3N2/c1-2-8-3-5-9(6-4-8)17-13-11(15)7-10(14)12(16)18-13/h7-9H,2-6H2,1H3,(H,17,18)
InChIKeyHGGCDMNJWSIKIJ-UHFFFAOYSA-N
XLogP5.42
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.65
LogP ≤ 55.42
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

3,5,6-trichloro-N-cyclopentylpyridin-2-amine
CID 102750169
3,5,6-trichloro-N-(2-ethylcyclohexyl)pyridin-2-amine
CID 102750633
6-chloro-N-(4-ethylcyclohexyl)-2,5-dimethylpyrimidin-4-amine
CID 63728972
6-chloro-N-(4-ethylcyclohexyl)-5-methylpyrimidin-4-amine
CID 63728973
3,5,6-trichloro-N-(2,2-diethyloxan-4-yl)pyridin-2-amine
CID 102751716
3-[(3,5,6-trichloro-2-pyridinyl)amino]cyclobutan-1-ol
CID 102751362
3,5,6-trichloro-N-(3,3,5,5-tetramethylcyclohexyl)pyridin-2-amine
CID 102751760
3,5-dichloro-2-N-ethyl-6-N-(3-ethylcyclohexyl)pyridine-2,6-diamine
CID 102758631
3,5,6-trichloro-N-(1-cyclopropylpropan-2-yl)pyridin-2-amine
CID 102751177
6-chloro-N-(4-ethylcyclohexyl)-5-methyl-2-propylpyrimidin-4-amine
CID 80972193
4-chloro-6-[(4-ethylcyclohexyl)amino]-2-methylpyrimidine-5-carbaldehyde
CID 80732235
3,5,6-trichloro-N-ethylpyridin-2-amine
CID 102750177

Frequently Asked Questions

What is the IUPAC name of 3,5,6-trichloro-N-(4-ethylcyclohexyl)pyridin-2-amine?
The IUPAC name of 3,5,6-trichloro-N-(4-ethylcyclohexyl)pyridin-2-amine (CID 102750636) is 3,5,6-trichloro-N-(4-ethylcyclohexyl)pyridin-2-amine.
What is the SMILES notation for 3,5,6-trichloro-N-(4-ethylcyclohexyl)pyridin-2-amine?
The canonical SMILES for 3,5,6-trichloro-N-(4-ethylcyclohexyl)pyridin-2-amine is CCC1CCC(Nc2nc(Cl)c(Cl)cc2Cl)CC1.
What is the InChIKey of 3,5,6-trichloro-N-(4-ethylcyclohexyl)pyridin-2-amine?
The InChIKey is HGGCDMNJWSIKIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Cl3N2/c1-2-8-3-5-9(6-4-8)17-13-11(15)7-10(14)12(16)18-13/h7-9H,2-6H2,1H3,(H,17,18).
What are the key properties of 3,5,6-trichloro-N-(4-ethylcyclohexyl)pyridin-2-amine?
3,5,6-trichloro-N-(4-ethylcyclohexyl)pyridin-2-amine has a molecular weight of 307.65 g/mol, XLogP of 5.42, 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-(4-ethylcyclohexyl)pyridin-2-amine is sourced from PubChem (CID 102750636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).