3-[(5-tert-butyl-2-pyridinyl)amino]cyclobutan-1-ol

C13H20N2O — CID 107874766

IUPAC3-[(5-tert-butyl-2-pyridinyl)amino]cyclobutan-1-ol
SMILESCC(C)(C)c1ccc(NC2CC(O)C2)nc1
InChIInChI=1S/C13H20N2O/c1-13(2,3)9-4-5-12(14-8-9)15-10-6-11(16)7-10/h4-5,8,10-11,16H,6-7H2,1-3H3,(H,14,15)
InChIKeyZKVDXAAOUSPJMI-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.31
Rot. Bonds2

About 3-[(5-tert-butyl-2-pyridinyl)amino]cyclobutan-1-ol

3-[(5-tert-butyl-2-pyridinyl)amino]cyclobutan-1-ol (PubChem CID 107874766) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 3-[(5-tert-butyl-2-pyridinyl)amino]cyclobutan-1-ol.

Molecular Properties

Compound Name3-[(5-tert-butyl-2-pyridinyl)amino]cyclobutan-1-ol
PubChem CID107874766
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name3-[(5-tert-butyl-2-pyridinyl)amino]cyclobutan-1-ol
SMILESCC(C)(C)c1ccc(NC2CC(O)C2)nc1
InChIInChI=1S/C13H20N2O/c1-13(2,3)9-4-5-12(14-8-9)15-10-6-11(16)7-10/h4-5,8,10-11,16H,6-7H2,1-3H3,(H,14,15)
InChIKeyZKVDXAAOUSPJMI-UHFFFAOYSA-N
XLogP2.31
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(5-tert-butyl-2-pyridinyl)amino]cyclobutan-1-ol?
The IUPAC name of 3-[(5-tert-butyl-2-pyridinyl)amino]cyclobutan-1-ol (CID 107874766) is 3-[(5-tert-butyl-2-pyridinyl)amino]cyclobutan-1-ol.
What is the SMILES notation for 3-[(5-tert-butyl-2-pyridinyl)amino]cyclobutan-1-ol?
The canonical SMILES for 3-[(5-tert-butyl-2-pyridinyl)amino]cyclobutan-1-ol is CC(C)(C)c1ccc(NC2CC(O)C2)nc1.
What is the InChIKey of 3-[(5-tert-butyl-2-pyridinyl)amino]cyclobutan-1-ol?
The InChIKey is ZKVDXAAOUSPJMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-13(2,3)9-4-5-12(14-8-9)15-10-6-11(16)7-10/h4-5,8,10-11,16H,6-7H2,1-3H3,(H,14,15).
What are the key properties of 3-[(5-tert-butyl-2-pyridinyl)amino]cyclobutan-1-ol?
3-[(5-tert-butyl-2-pyridinyl)amino]cyclobutan-1-ol has a molecular weight of 220.32 g/mol, XLogP of 2.31, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-tert-butyl-2-pyridinyl)amino]cyclobutan-1-ol is sourced from PubChem (CID 107874766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).