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

C15H21Cl3N2 — CID 102751760

IUPAC3,5,6-trichloro-N-(3,3,5,5-tetramethylcyclohexyl)pyridin-2-amine
SMILESCC1(C)CC(Nc2nc(Cl)c(Cl)cc2Cl)CC(C)(C)C1
InChIInChI=1S/C15H21Cl3N2/c1-14(2)6-9(7-15(3,4)8-14)19-13-11(17)5-10(16)12(18)20-13/h5,9H,6-8H2,1-4H3,(H,19,20)
InChIKeySDOFKNPVRMYMHI-UHFFFAOYSA-N
MW335.71 g/mol
LogP6.06
Rot. Bonds2

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

3,5,6-trichloro-N-(3,3,5,5-tetramethylcyclohexyl)pyridin-2-amine (PubChem CID 102751760) has the molecular formula C15H21Cl3N2 and a molecular weight of 335.71 g/mol. Its IUPAC name is 3,5,6-trichloro-N-(3,3,5,5-tetramethylcyclohexyl)pyridin-2-amine.

Molecular Properties

Compound Name3,5,6-trichloro-N-(3,3,5,5-tetramethylcyclohexyl)pyridin-2-amine
PubChem CID102751760
Molecular FormulaC15H21Cl3N2
Molecular Weight335.71 g/mol
Exact Mass334.08
IUPAC Name3,5,6-trichloro-N-(3,3,5,5-tetramethylcyclohexyl)pyridin-2-amine
SMILESCC1(C)CC(Nc2nc(Cl)c(Cl)cc2Cl)CC(C)(C)C1
InChIInChI=1S/C15H21Cl3N2/c1-14(2)6-9(7-15(3,4)8-14)19-13-11(17)5-10(16)12(18)20-13/h5,9H,6-8H2,1-4H3,(H,19,20)
InChIKeySDOFKNPVRMYMHI-UHFFFAOYSA-N
XLogP6.06
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.71
LogP ≤ 56.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3,5,6-trichloro-N-(3,3,5,5-tetramethylcyclohexyl)pyridin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-benzyl-6-chloropyridin-2-amine
CID 2405403
3-chloro-2-N-(2,6-diethylphenyl)-6-N-ethylpyridine-2,6-diamine
CID 172448604
2-Benzylamino-6-(t-butylamino)-3-chloro-5-fluoropyridine
CID 22121183
2-chloro-6-[[(1R,2S)-2-ethyl-2-methylcyclohexyl]amino]-5-fluoropyridine-3-carbonitrile
CID 130305800
3-chloro-N-(3-methylcyclohexyl)-5-(trifluoromethyl)pyridin-2-amine
CID 43317146
3-chloro-N-(4,4-dimethylcyclohexyl)-5-(trifluoromethyl)pyridin-2-amine
CID 64393914
3-chloro-N-(3,5-dimethylcyclohexyl)-5-(trifluoromethyl)pyridin-2-amine
CID 64734646
5-chloro-3-fluoro-N-(4-methylcyclohexyl)pyridin-2-amine
CID 79727214
5-chloro-N-(2,4-dimethylcyclohexyl)-3-fluoropyridin-2-amine
CID 79727235
5-chloro-N-(3,5-dimethylcyclohexyl)-3-fluoropyridin-2-amine
CID 79727237
5-chloro-N-(3-ethylcyclohexyl)-3-fluoropyridin-2-amine
CID 79727338
5-chloro-3-fluoro-N-[2-(3-methylcyclohexyl)ethyl]pyridin-2-amine
CID 79727537

Frequently Asked Questions

What is the IUPAC name of 3,5,6-trichloro-N-(3,3,5,5-tetramethylcyclohexyl)pyridin-2-amine?
The IUPAC name of 3,5,6-trichloro-N-(3,3,5,5-tetramethylcyclohexyl)pyridin-2-amine (CID 102751760) is 3,5,6-trichloro-N-(3,3,5,5-tetramethylcyclohexyl)pyridin-2-amine.
What is the SMILES notation for 3,5,6-trichloro-N-(3,3,5,5-tetramethylcyclohexyl)pyridin-2-amine?
The canonical SMILES for 3,5,6-trichloro-N-(3,3,5,5-tetramethylcyclohexyl)pyridin-2-amine is CC1(C)CC(Nc2nc(Cl)c(Cl)cc2Cl)CC(C)(C)C1.
What is the InChIKey of 3,5,6-trichloro-N-(3,3,5,5-tetramethylcyclohexyl)pyridin-2-amine?
The InChIKey is SDOFKNPVRMYMHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21Cl3N2/c1-14(2)6-9(7-15(3,4)8-14)19-13-11(17)5-10(16)12(18)20-13/h5,9H,6-8H2,1-4H3,(H,19,20).
What are the key properties of 3,5,6-trichloro-N-(3,3,5,5-tetramethylcyclohexyl)pyridin-2-amine?
3,5,6-trichloro-N-(3,3,5,5-tetramethylcyclohexyl)pyridin-2-amine has a molecular weight of 335.71 g/mol, XLogP of 6.06, 2 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-(3,3,5,5-tetramethylcyclohexyl)pyridin-2-amine is sourced from PubChem (CID 102751760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).