6-chloro-2-N-(3,3,5,5-tetramethylcyclohexyl)pyridine-2,3-diamine

C15H24ClN3 — CID 103965270

IUPAC6-chloro-2-N-(3,3,5,5-tetramethylcyclohexyl)pyridine-2,3-diamine
SMILESCC1(C)CC(Nc2nc(Cl)ccc2N)CC(C)(C)C1
InChIInChI=1S/C15H24ClN3/c1-14(2)7-10(8-15(3,4)9-14)18-13-11(17)5-6-12(16)19-13/h5-6,10H,7-9,17H2,1-4H3,(H,18,19)
InChIKeyNEMSKWXJDVIUAR-UHFFFAOYSA-N
MW281.83 g/mol
LogP4.33
Rot. Bonds2

About 6-chloro-2-N-(3,3,5,5-tetramethylcyclohexyl)pyridine-2,3-diamine

6-chloro-2-N-(3,3,5,5-tetramethylcyclohexyl)pyridine-2,3-diamine (PubChem CID 103965270) has the molecular formula C15H24ClN3 and a molecular weight of 281.83 g/mol. Its IUPAC name is 6-chloro-2-N-(3,3,5,5-tetramethylcyclohexyl)pyridine-2,3-diamine.

Molecular Properties

Compound Name6-chloro-2-N-(3,3,5,5-tetramethylcyclohexyl)pyridine-2,3-diamine
PubChem CID103965270
Molecular FormulaC15H24ClN3
Molecular Weight281.83 g/mol
Exact Mass281.17
IUPAC Name6-chloro-2-N-(3,3,5,5-tetramethylcyclohexyl)pyridine-2,3-diamine
SMILESCC1(C)CC(Nc2nc(Cl)ccc2N)CC(C)(C)C1
InChIInChI=1S/C15H24ClN3/c1-14(2)7-10(8-15(3,4)9-14)18-13-11(17)5-6-12(16)19-13/h5-6,10H,7-9,17H2,1-4H3,(H,18,19)
InChIKeyNEMSKWXJDVIUAR-UHFFFAOYSA-N
XLogP4.33
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.83
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 6-chloro-2-N-(3,3,5,5-tetramethylcyclohexyl)pyridine-2,3-diamine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-N-(3,3,5,5-tetramethylcyclohexyl)pyridine-2,3-diamine?
The IUPAC name of 6-chloro-2-N-(3,3,5,5-tetramethylcyclohexyl)pyridine-2,3-diamine (CID 103965270) is 6-chloro-2-N-(3,3,5,5-tetramethylcyclohexyl)pyridine-2,3-diamine.
What is the SMILES notation for 6-chloro-2-N-(3,3,5,5-tetramethylcyclohexyl)pyridine-2,3-diamine?
The canonical SMILES for 6-chloro-2-N-(3,3,5,5-tetramethylcyclohexyl)pyridine-2,3-diamine is CC1(C)CC(Nc2nc(Cl)ccc2N)CC(C)(C)C1.
What is the InChIKey of 6-chloro-2-N-(3,3,5,5-tetramethylcyclohexyl)pyridine-2,3-diamine?
The InChIKey is NEMSKWXJDVIUAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClN3/c1-14(2)7-10(8-15(3,4)9-14)18-13-11(17)5-6-12(16)19-13/h5-6,10H,7-9,17H2,1-4H3,(H,18,19).
What are the key properties of 6-chloro-2-N-(3,3,5,5-tetramethylcyclohexyl)pyridine-2,3-diamine?
6-chloro-2-N-(3,3,5,5-tetramethylcyclohexyl)pyridine-2,3-diamine has a molecular weight of 281.83 g/mol, XLogP of 4.33, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-N-(3,3,5,5-tetramethylcyclohexyl)pyridine-2,3-diamine is sourced from PubChem (CID 103965270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).