4-pyridin-3-ylmorpholin-3-amine

C9H13N3O — CID 174654735

IUPAC4-pyridin-3-ylmorpholin-3-amine
SMILESNC1COCCN1c1cccnc1
InChIInChI=1S/C9H13N3O/c10-9-7-13-5-4-12(9)8-2-1-3-11-6-8/h1-3,6,9H,4-5,7,10H2
InChIKeyALZZTPWSYBBYAA-UHFFFAOYSA-N
MW179.22 g/mol
LogP0.20
Rot. Bonds1

About 4-pyridin-3-ylmorpholin-3-amine

4-pyridin-3-ylmorpholin-3-amine (PubChem CID 174654735) has the molecular formula C9H13N3O and a molecular weight of 179.22 g/mol. Its IUPAC name is 4-pyridin-3-ylmorpholin-3-amine.

Molecular Properties

Compound Name4-pyridin-3-ylmorpholin-3-amine
PubChem CID174654735
Molecular FormulaC9H13N3O
Molecular Weight179.22 g/mol
Exact Mass179.11
IUPAC Name4-pyridin-3-ylmorpholin-3-amine
SMILESNC1COCCN1c1cccnc1
InChIInChI=1S/C9H13N3O/c10-9-7-13-5-4-12(9)8-2-1-3-11-6-8/h1-3,6,9H,4-5,7,10H2
InChIKeyALZZTPWSYBBYAA-UHFFFAOYSA-N
XLogP0.20
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-pyridin-3-ylmorpholin-3-amine?
The IUPAC name of 4-pyridin-3-ylmorpholin-3-amine (CID 174654735) is 4-pyridin-3-ylmorpholin-3-amine.
What is the SMILES notation for 4-pyridin-3-ylmorpholin-3-amine?
The canonical SMILES for 4-pyridin-3-ylmorpholin-3-amine is NC1COCCN1c1cccnc1.
What is the InChIKey of 4-pyridin-3-ylmorpholin-3-amine?
The InChIKey is ALZZTPWSYBBYAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O/c10-9-7-13-5-4-12(9)8-2-1-3-11-6-8/h1-3,6,9H,4-5,7,10H2.
What are the key properties of 4-pyridin-3-ylmorpholin-3-amine?
4-pyridin-3-ylmorpholin-3-amine has a molecular weight of 179.22 g/mol, XLogP of 0.20, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyridin-3-ylmorpholin-3-amine is sourced from PubChem (CID 174654735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).