2-[[6-tert-butyl-4-(hydroxymethyl)-2-pyridinyl]-cyclobutylamino]ethanol

C16H26N2O2 — CID 102869293

IUPAC2-[[6-tert-butyl-4-(hydroxymethyl)-2-pyridinyl]-cyclobutylamino]ethanol
SMILESCC(C)(C)c1cc(CO)cc(N(CCO)C2CCC2)n1
InChIInChI=1S/C16H26N2O2/c1-16(2,3)14-9-12(11-20)10-15(17-14)18(7-8-19)13-5-4-6-13/h9-10,13,19-20H,4-8,11H2,1-3H3
InChIKeyXEJCHICJVPZMBI-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.22
Rot. Bonds5

About 2-[[6-tert-butyl-4-(hydroxymethyl)-2-pyridinyl]-cyclobutylamino]ethanol

2-[[6-tert-butyl-4-(hydroxymethyl)-2-pyridinyl]-cyclobutylamino]ethanol (PubChem CID 102869293) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 2-[[6-tert-butyl-4-(hydroxymethyl)-2-pyridinyl]-cyclobutylamino]ethanol.

Molecular Properties

Compound Name2-[[6-tert-butyl-4-(hydroxymethyl)-2-pyridinyl]-cyclobutylamino]ethanol
PubChem CID102869293
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name2-[[6-tert-butyl-4-(hydroxymethyl)-2-pyridinyl]-cyclobutylamino]ethanol
SMILESCC(C)(C)c1cc(CO)cc(N(CCO)C2CCC2)n1
InChIInChI=1S/C16H26N2O2/c1-16(2,3)14-9-12(11-20)10-15(17-14)18(7-8-19)13-5-4-6-13/h9-10,13,19-20H,4-8,11H2,1-3H3
InChIKeyXEJCHICJVPZMBI-UHFFFAOYSA-N
XLogP2.22
TPSA56.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[6-tert-butyl-4-(hydroxymethyl)-2-pyridinyl]-cyclobutylamino]ethanol?
The IUPAC name of 2-[[6-tert-butyl-4-(hydroxymethyl)-2-pyridinyl]-cyclobutylamino]ethanol (CID 102869293) is 2-[[6-tert-butyl-4-(hydroxymethyl)-2-pyridinyl]-cyclobutylamino]ethanol.
What is the SMILES notation for 2-[[6-tert-butyl-4-(hydroxymethyl)-2-pyridinyl]-cyclobutylamino]ethanol?
The canonical SMILES for 2-[[6-tert-butyl-4-(hydroxymethyl)-2-pyridinyl]-cyclobutylamino]ethanol is CC(C)(C)c1cc(CO)cc(N(CCO)C2CCC2)n1.
What is the InChIKey of 2-[[6-tert-butyl-4-(hydroxymethyl)-2-pyridinyl]-cyclobutylamino]ethanol?
The InChIKey is XEJCHICJVPZMBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-16(2,3)14-9-12(11-20)10-15(17-14)18(7-8-19)13-5-4-6-13/h9-10,13,19-20H,4-8,11H2,1-3H3.
What are the key properties of 2-[[6-tert-butyl-4-(hydroxymethyl)-2-pyridinyl]-cyclobutylamino]ethanol?
2-[[6-tert-butyl-4-(hydroxymethyl)-2-pyridinyl]-cyclobutylamino]ethanol has a molecular weight of 278.40 g/mol, XLogP of 2.22, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-tert-butyl-4-(hydroxymethyl)-2-pyridinyl]-cyclobutylamino]ethanol is sourced from PubChem (CID 102869293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).