1-[(4-amino-3-pyridinyl)methyl]-3-ethoxycyclobutan-1-ol

C12H18N2O2 — CID 106823423

IUPAC1-[(4-amino-3-pyridinyl)methyl]-3-ethoxycyclobutan-1-ol
SMILESCCOC1CC(O)(Cc2cnccc2N)C1
InChIInChI=1S/C12H18N2O2/c1-2-16-10-6-12(15,7-10)5-9-8-14-4-3-11(9)13/h3-4,8,10,15H,2,5-7H2,1H3,(H2,13,14)
InChIKeyCYJDMQLOPDOMEG-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.14
Rot. Bonds4

About 1-[(4-amino-3-pyridinyl)methyl]-3-ethoxycyclobutan-1-ol

1-[(4-amino-3-pyridinyl)methyl]-3-ethoxycyclobutan-1-ol (PubChem CID 106823423) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 1-[(4-amino-3-pyridinyl)methyl]-3-ethoxycyclobutan-1-ol.

Molecular Properties

Compound Name1-[(4-amino-3-pyridinyl)methyl]-3-ethoxycyclobutan-1-ol
PubChem CID106823423
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name1-[(4-amino-3-pyridinyl)methyl]-3-ethoxycyclobutan-1-ol
SMILESCCOC1CC(O)(Cc2cnccc2N)C1
InChIInChI=1S/C12H18N2O2/c1-2-16-10-6-12(15,7-10)5-9-8-14-4-3-11(9)13/h3-4,8,10,15H,2,5-7H2,1H3,(H2,13,14)
InChIKeyCYJDMQLOPDOMEG-UHFFFAOYSA-N
XLogP1.14
TPSA68.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-amino-3-pyridinyl)methyl]-3-ethoxycyclobutan-1-ol?
The IUPAC name of 1-[(4-amino-3-pyridinyl)methyl]-3-ethoxycyclobutan-1-ol (CID 106823423) is 1-[(4-amino-3-pyridinyl)methyl]-3-ethoxycyclobutan-1-ol.
What is the SMILES notation for 1-[(4-amino-3-pyridinyl)methyl]-3-ethoxycyclobutan-1-ol?
The canonical SMILES for 1-[(4-amino-3-pyridinyl)methyl]-3-ethoxycyclobutan-1-ol is CCOC1CC(O)(Cc2cnccc2N)C1.
What is the InChIKey of 1-[(4-amino-3-pyridinyl)methyl]-3-ethoxycyclobutan-1-ol?
The InChIKey is CYJDMQLOPDOMEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-2-16-10-6-12(15,7-10)5-9-8-14-4-3-11(9)13/h3-4,8,10,15H,2,5-7H2,1H3,(H2,13,14).
What are the key properties of 1-[(4-amino-3-pyridinyl)methyl]-3-ethoxycyclobutan-1-ol?
1-[(4-amino-3-pyridinyl)methyl]-3-ethoxycyclobutan-1-ol has a molecular weight of 222.29 g/mol, XLogP of 1.14, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-amino-3-pyridinyl)methyl]-3-ethoxycyclobutan-1-ol is sourced from PubChem (CID 106823423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).