N-(2-tert-butylcyclohexyl)-2-chloro-4-methylpyridin-3-amine

C16H25ClN2 — CID 65491674

IUPACN-(2-tert-butylcyclohexyl)-2-chloro-4-methylpyridin-3-amine
SMILESCc1ccnc(Cl)c1NC1CCCCC1C(C)(C)C
InChIInChI=1S/C16H25ClN2/c1-11-9-10-18-15(17)14(11)19-13-8-6-5-7-12(13)16(2,3)4/h9-10,12-13,19H,5-8H2,1-4H3
InChIKeyUZLCXFBEVJGCEI-UHFFFAOYSA-N
MW280.84 g/mol
LogP5.06
Rot. Bonds2

About N-(2-tert-butylcyclohexyl)-2-chloro-4-methylpyridin-3-amine

N-(2-tert-butylcyclohexyl)-2-chloro-4-methylpyridin-3-amine (PubChem CID 65491674) has the molecular formula C16H25ClN2 and a molecular weight of 280.84 g/mol. Its IUPAC name is N-(2-tert-butylcyclohexyl)-2-chloro-4-methylpyridin-3-amine.

Molecular Properties

Compound NameN-(2-tert-butylcyclohexyl)-2-chloro-4-methylpyridin-3-amine
PubChem CID65491674
Molecular FormulaC16H25ClN2
Molecular Weight280.84 g/mol
Exact Mass280.17
IUPAC NameN-(2-tert-butylcyclohexyl)-2-chloro-4-methylpyridin-3-amine
SMILESCc1ccnc(Cl)c1NC1CCCCC1C(C)(C)C
InChIInChI=1S/C16H25ClN2/c1-11-9-10-18-15(17)14(11)19-13-8-6-5-7-12(13)16(2,3)4/h9-10,12-13,19H,5-8H2,1-4H3
InChIKeyUZLCXFBEVJGCEI-UHFFFAOYSA-N
XLogP5.06
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.84
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(2-tert-butylcyclohexyl)-2-chloro-4-methylpyridin-3-amine 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 N-(2-tert-butylcyclohexyl)-2-chloro-4-methylpyridin-3-amine?
The IUPAC name of N-(2-tert-butylcyclohexyl)-2-chloro-4-methylpyridin-3-amine (CID 65491674) is N-(2-tert-butylcyclohexyl)-2-chloro-4-methylpyridin-3-amine.
What is the SMILES notation for N-(2-tert-butylcyclohexyl)-2-chloro-4-methylpyridin-3-amine?
The canonical SMILES for N-(2-tert-butylcyclohexyl)-2-chloro-4-methylpyridin-3-amine is Cc1ccnc(Cl)c1NC1CCCCC1C(C)(C)C.
What is the InChIKey of N-(2-tert-butylcyclohexyl)-2-chloro-4-methylpyridin-3-amine?
The InChIKey is UZLCXFBEVJGCEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClN2/c1-11-9-10-18-15(17)14(11)19-13-8-6-5-7-12(13)16(2,3)4/h9-10,12-13,19H,5-8H2,1-4H3.
What are the key properties of N-(2-tert-butylcyclohexyl)-2-chloro-4-methylpyridin-3-amine?
N-(2-tert-butylcyclohexyl)-2-chloro-4-methylpyridin-3-amine has a molecular weight of 280.84 g/mol, XLogP of 5.06, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-tert-butylcyclohexyl)-2-chloro-4-methylpyridin-3-amine is sourced from PubChem (CID 65491674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).