(3-pyridin-4-yloxetan-3-yl)methanamine

C9H12N2O — CID 83480468

IUPAC(3-pyridin-4-yloxetan-3-yl)methanamine
SMILESNCC1(c2ccncc2)COC1
InChIInChI=1S/C9H12N2O/c10-5-9(6-12-7-9)8-1-3-11-4-2-8/h1-4H,5-7,10H2
InChIKeyJJAYKWOQBLHFDT-UHFFFAOYSA-N
MW164.21 g/mol
LogP0.31
Rot. Bonds2

About (3-pyridin-4-yloxetan-3-yl)methanamine

(3-pyridin-4-yloxetan-3-yl)methanamine (PubChem CID 83480468) has the molecular formula C9H12N2O and a molecular weight of 164.21 g/mol. Its IUPAC name is (3-pyridin-4-yloxetan-3-yl)methanamine.

Molecular Properties

Compound Name(3-pyridin-4-yloxetan-3-yl)methanamine
PubChem CID83480468
Molecular FormulaC9H12N2O
Molecular Weight164.21 g/mol
Exact Mass164.09
IUPAC Name(3-pyridin-4-yloxetan-3-yl)methanamine
SMILESNCC1(c2ccncc2)COC1
InChIInChI=1S/C9H12N2O/c10-5-9(6-12-7-9)8-1-3-11-4-2-8/h1-4H,5-7,10H2
InChIKeyJJAYKWOQBLHFDT-UHFFFAOYSA-N
XLogP0.31
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3-pyridin-4-yloxetan-3-yl)methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3-pyridin-4-yloxetan-3-yl)methanamine?
The IUPAC name of (3-pyridin-4-yloxetan-3-yl)methanamine (CID 83480468) is (3-pyridin-4-yloxetan-3-yl)methanamine.
What is the SMILES notation for (3-pyridin-4-yloxetan-3-yl)methanamine?
The canonical SMILES for (3-pyridin-4-yloxetan-3-yl)methanamine is NCC1(c2ccncc2)COC1.
What is the InChIKey of (3-pyridin-4-yloxetan-3-yl)methanamine?
The InChIKey is JJAYKWOQBLHFDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O/c10-5-9(6-12-7-9)8-1-3-11-4-2-8/h1-4H,5-7,10H2.
What are the key properties of (3-pyridin-4-yloxetan-3-yl)methanamine?
(3-pyridin-4-yloxetan-3-yl)methanamine has a molecular weight of 164.21 g/mol, XLogP of 0.31, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-pyridin-4-yloxetan-3-yl)methanamine is sourced from PubChem (CID 83480468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).