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

C13H17Cl3N2 — CID 102750633

IUPAC3,5,6-trichloro-N-(2-ethylcyclohexyl)pyridin-2-amine
SMILESCCC1CCCCC1Nc1nc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C13H17Cl3N2/c1-2-8-5-3-4-6-11(8)17-13-10(15)7-9(14)12(16)18-13/h7-8,11H,2-6H2,1H3,(H,17,18)
InChIKeyIGWCCXQRVDOOQF-UHFFFAOYSA-N
MW307.65 g/mol
LogP5.42
Rot. Bonds3

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

3,5,6-trichloro-N-(2-ethylcyclohexyl)pyridin-2-amine (PubChem CID 102750633) has the molecular formula C13H17Cl3N2 and a molecular weight of 307.65 g/mol. Its IUPAC name is 3,5,6-trichloro-N-(2-ethylcyclohexyl)pyridin-2-amine.

Molecular Properties

Compound Name3,5,6-trichloro-N-(2-ethylcyclohexyl)pyridin-2-amine
PubChem CID102750633
Molecular FormulaC13H17Cl3N2
Molecular Weight307.65 g/mol
Exact Mass306.05
IUPAC Name3,5,6-trichloro-N-(2-ethylcyclohexyl)pyridin-2-amine
SMILESCCC1CCCCC1Nc1nc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C13H17Cl3N2/c1-2-8-5-3-4-6-11(8)17-13-10(15)7-9(14)12(16)18-13/h7-8,11H,2-6H2,1H3,(H,17,18)
InChIKeyIGWCCXQRVDOOQF-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

[2-[(3,5,6-trichloro-2-pyridinyl)amino]cyclohexyl]methanol
CID 106364152
3,5,6-trichloro-N-cyclopentylpyridin-2-amine
CID 102750169
3,5,6-trichloro-N-(4-ethylcyclohexyl)pyridin-2-amine
CID 102750636
5-bromo-2-chloro-N-(2-ethylcyclohexyl)pyrimidin-4-amine
CID 79075996
3,5,6-trichloro-N-[(2-methylcyclohexyl)methyl]pyridin-2-amine
CID 102750821
3,5-dichloro-N-(2-ethylcyclohexyl)aniline
CID 55250831
N-(3,5,6-trichloro-2-pyridinyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
CID 102750709
[2-[[(3,5,6-trichloro-2-pyridinyl)amino]methyl]cyclohexyl]methanol
CID 102751354
2,4-dichloro-N-(2-ethylcyclohexyl)aniline
CID 55256942
3,5-dichloro-6-N-(2-methylcyclohexyl)-2-N-propylpyridine-2,6-diamine
CID 102755687
2-chloro-N-(2-ethylcyclohexyl)aniline
CID 63863576
3-chloro-N-(2-ethylcyclohexyl)-4-methylaniline
CID 63862474

Frequently Asked Questions

What is the IUPAC name of 3,5,6-trichloro-N-(2-ethylcyclohexyl)pyridin-2-amine?
The IUPAC name of 3,5,6-trichloro-N-(2-ethylcyclohexyl)pyridin-2-amine (CID 102750633) is 3,5,6-trichloro-N-(2-ethylcyclohexyl)pyridin-2-amine.
What is the SMILES notation for 3,5,6-trichloro-N-(2-ethylcyclohexyl)pyridin-2-amine?
The canonical SMILES for 3,5,6-trichloro-N-(2-ethylcyclohexyl)pyridin-2-amine is CCC1CCCCC1Nc1nc(Cl)c(Cl)cc1Cl.
What is the InChIKey of 3,5,6-trichloro-N-(2-ethylcyclohexyl)pyridin-2-amine?
The InChIKey is IGWCCXQRVDOOQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Cl3N2/c1-2-8-5-3-4-6-11(8)17-13-10(15)7-9(14)12(16)18-13/h7-8,11H,2-6H2,1H3,(H,17,18).
What are the key properties of 3,5,6-trichloro-N-(2-ethylcyclohexyl)pyridin-2-amine?
3,5,6-trichloro-N-(2-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-(2-ethylcyclohexyl)pyridin-2-amine is sourced from PubChem (CID 102750633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).