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

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

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Related Compounds

2-[[4-(aminomethyl)-6-methyl-2-pyridinyl]-cyclohexylamino]ethanol
CID 114765171
2-[(2-tert-butyl-6-hydrazinylpyrimidin-4-yl)-cyclobutylamino]ethanol
CID 102875864
2-[[2-tert-butyl-6-(ethylamino)pyrimidin-4-yl]-cyclobutylamino]ethanol
CID 102875677
2-[cyclobutyl-[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]ethanol
CID 102875645
2-[cyclopentyl-[5-(hydroxymethyl)-2-pyridinyl]amino]ethanol
CID 54994646
2-[[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]-cyclobutylamino]ethanol
CID 102875779
2-[cyclobutyl-[6-(ethylamino)-2-propylpyrimidin-4-yl]amino]ethanol
CID 102875637
2-[(6-chloro-2-methylpyrimidin-4-yl)-cyclohexylamino]ethanol
CID 55080382
2-[[2-tert-butyl-6-(methylamino)pyrimidin-4-yl]-cyclopropylamino]ethanol
CID 80960291
[2-[butan-2-yl(methyl)amino]-6-tert-butyl-4-pyridinyl]methanol
CID 113380443
2-[[2-tert-butyl-6-(ethylamino)pyrimidin-4-yl]-cyclopropylamino]ethanol
CID 80962129
[2-[cyclopropyl(2-methoxyethyl)amino]-6-methyl-4-pyridinyl]methanol
CID 113378741

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).