2-[(6-amino-2-pyridinyl)-cyclobutylamino]ethanol

C11H17N3O — CID 102875467

IUPAC2-[(6-amino-2-pyridinyl)-cyclobutylamino]ethanol
SMILESNc1cccc(N(CCO)C2CCC2)n1
InChIInChI=1S/C11H17N3O/c12-10-5-2-6-11(13-10)14(7-8-15)9-3-1-4-9/h2,5-6,9,15H,1,3-4,7-8H2,(H2,12,13)
InChIKeyXKURXPCTSIYXTC-UHFFFAOYSA-N
MW207.28 g/mol
LogP1.01
Rot. Bonds4

About 2-[(6-amino-2-pyridinyl)-cyclobutylamino]ethanol

2-[(6-amino-2-pyridinyl)-cyclobutylamino]ethanol (PubChem CID 102875467) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 2-[(6-amino-2-pyridinyl)-cyclobutylamino]ethanol.

Molecular Properties

Compound Name2-[(6-amino-2-pyridinyl)-cyclobutylamino]ethanol
PubChem CID102875467
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name2-[(6-amino-2-pyridinyl)-cyclobutylamino]ethanol
SMILESNc1cccc(N(CCO)C2CCC2)n1
InChIInChI=1S/C11H17N3O/c12-10-5-2-6-11(13-10)14(7-8-15)9-3-1-4-9/h2,5-6,9,15H,1,3-4,7-8H2,(H2,12,13)
InChIKeyXKURXPCTSIYXTC-UHFFFAOYSA-N
XLogP1.01
TPSA62.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-amino-2-pyridinyl)-cyclobutylamino]ethanol?
The IUPAC name of 2-[(6-amino-2-pyridinyl)-cyclobutylamino]ethanol (CID 102875467) is 2-[(6-amino-2-pyridinyl)-cyclobutylamino]ethanol.
What is the SMILES notation for 2-[(6-amino-2-pyridinyl)-cyclobutylamino]ethanol?
The canonical SMILES for 2-[(6-amino-2-pyridinyl)-cyclobutylamino]ethanol is Nc1cccc(N(CCO)C2CCC2)n1.
What is the InChIKey of 2-[(6-amino-2-pyridinyl)-cyclobutylamino]ethanol?
The InChIKey is XKURXPCTSIYXTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c12-10-5-2-6-11(13-10)14(7-8-15)9-3-1-4-9/h2,5-6,9,15H,1,3-4,7-8H2,(H2,12,13).
What are the key properties of 2-[(6-amino-2-pyridinyl)-cyclobutylamino]ethanol?
2-[(6-amino-2-pyridinyl)-cyclobutylamino]ethanol has a molecular weight of 207.28 g/mol, XLogP of 1.01, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-amino-2-pyridinyl)-cyclobutylamino]ethanol is sourced from PubChem (CID 102875467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).