2-(2-amino-4-pyridinyl)-1-(4-tert-butylcyclohexyl)ethanol

C17H28N2O — CID 65400523

IUPAC2-(2-amino-4-pyridinyl)-1-(4-tert-butylcyclohexyl)ethanol
SMILESCC(C)(C)C1CCC(C(O)Cc2ccnc(N)c2)CC1
InChIInChI=1S/C17H28N2O/c1-17(2,3)14-6-4-13(5-7-14)15(20)10-12-8-9-19-16(18)11-12/h8-9,11,13-15,20H,4-7,10H2,1-3H3,(H2,18,19)
InChIKeyGIDNLUIKWHXMHB-UHFFFAOYSA-N
MW276.42 g/mol
LogP3.42
Rot. Bonds3

About 2-(2-amino-4-pyridinyl)-1-(4-tert-butylcyclohexyl)ethanol

2-(2-amino-4-pyridinyl)-1-(4-tert-butylcyclohexyl)ethanol (PubChem CID 65400523) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 2-(2-amino-4-pyridinyl)-1-(4-tert-butylcyclohexyl)ethanol.

Molecular Properties

Compound Name2-(2-amino-4-pyridinyl)-1-(4-tert-butylcyclohexyl)ethanol
PubChem CID65400523
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name2-(2-amino-4-pyridinyl)-1-(4-tert-butylcyclohexyl)ethanol
SMILESCC(C)(C)C1CCC(C(O)Cc2ccnc(N)c2)CC1
InChIInChI=1S/C17H28N2O/c1-17(2,3)14-6-4-13(5-7-14)15(20)10-12-8-9-19-16(18)11-12/h8-9,11,13-15,20H,4-7,10H2,1-3H3,(H2,18,19)
InChIKeyGIDNLUIKWHXMHB-UHFFFAOYSA-N
XLogP3.42
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(2-amino-4-pyridinyl)-1-(4-tert-butylcyclohexyl)ethanol 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 2-(2-amino-4-pyridinyl)-1-(4-tert-butylcyclohexyl)ethanol?
The IUPAC name of 2-(2-amino-4-pyridinyl)-1-(4-tert-butylcyclohexyl)ethanol (CID 65400523) is 2-(2-amino-4-pyridinyl)-1-(4-tert-butylcyclohexyl)ethanol.
What is the SMILES notation for 2-(2-amino-4-pyridinyl)-1-(4-tert-butylcyclohexyl)ethanol?
The canonical SMILES for 2-(2-amino-4-pyridinyl)-1-(4-tert-butylcyclohexyl)ethanol is CC(C)(C)C1CCC(C(O)Cc2ccnc(N)c2)CC1.
What is the InChIKey of 2-(2-amino-4-pyridinyl)-1-(4-tert-butylcyclohexyl)ethanol?
The InChIKey is GIDNLUIKWHXMHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-17(2,3)14-6-4-13(5-7-14)15(20)10-12-8-9-19-16(18)11-12/h8-9,11,13-15,20H,4-7,10H2,1-3H3,(H2,18,19).
What are the key properties of 2-(2-amino-4-pyridinyl)-1-(4-tert-butylcyclohexyl)ethanol?
2-(2-amino-4-pyridinyl)-1-(4-tert-butylcyclohexyl)ethanol has a molecular weight of 276.42 g/mol, XLogP of 3.42, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-4-pyridinyl)-1-(4-tert-butylcyclohexyl)ethanol is sourced from PubChem (CID 65400523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).