2-(oxetan-2-ylmethyl)pyridine-3,4-diamine

C9H13N3O — CID 170548779

IUPAC2-(oxetan-2-ylmethyl)pyridine-3,4-diamine
SMILESNc1ccnc(CC2CCO2)c1N
InChIInChI=1S/C9H13N3O/c10-7-1-3-12-8(9(7)11)5-6-2-4-13-6/h1,3,6H,2,4-5,11H2,(H2,10,12)
InChIKeyOIRLPYNYXNADFG-UHFFFAOYSA-N
MW179.22 g/mol
LogP0.58
Rot. Bonds2

About 2-(oxetan-2-ylmethyl)pyridine-3,4-diamine

2-(oxetan-2-ylmethyl)pyridine-3,4-diamine (PubChem CID 170548779) has the molecular formula C9H13N3O and a molecular weight of 179.22 g/mol. Its IUPAC name is 2-(oxetan-2-ylmethyl)pyridine-3,4-diamine.

Molecular Properties

Compound Name2-(oxetan-2-ylmethyl)pyridine-3,4-diamine
PubChem CID170548779
Molecular FormulaC9H13N3O
Molecular Weight179.22 g/mol
Exact Mass179.11
IUPAC Name2-(oxetan-2-ylmethyl)pyridine-3,4-diamine
SMILESNc1ccnc(CC2CCO2)c1N
InChIInChI=1S/C9H13N3O/c10-7-1-3-12-8(9(7)11)5-6-2-4-13-6/h1,3,6H,2,4-5,11H2,(H2,10,12)
InChIKeyOIRLPYNYXNADFG-UHFFFAOYSA-N
XLogP0.58
TPSA74.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(oxetan-2-ylmethyl)pyridine-3,4-diamine?
The IUPAC name of 2-(oxetan-2-ylmethyl)pyridine-3,4-diamine (CID 170548779) is 2-(oxetan-2-ylmethyl)pyridine-3,4-diamine.
What is the SMILES notation for 2-(oxetan-2-ylmethyl)pyridine-3,4-diamine?
The canonical SMILES for 2-(oxetan-2-ylmethyl)pyridine-3,4-diamine is Nc1ccnc(CC2CCO2)c1N.
What is the InChIKey of 2-(oxetan-2-ylmethyl)pyridine-3,4-diamine?
The InChIKey is OIRLPYNYXNADFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O/c10-7-1-3-12-8(9(7)11)5-6-2-4-13-6/h1,3,6H,2,4-5,11H2,(H2,10,12).
What are the key properties of 2-(oxetan-2-ylmethyl)pyridine-3,4-diamine?
2-(oxetan-2-ylmethyl)pyridine-3,4-diamine has a molecular weight of 179.22 g/mol, XLogP of 0.58, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxetan-2-ylmethyl)pyridine-3,4-diamine is sourced from PubChem (CID 170548779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).