2-morpholin-4-yl-N-(pyridin-4-ylmethyl)ethanamine

C12H19N3O — CID 3152379

IUPAC2-morpholin-4-yl-N-(pyridin-4-ylmethyl)ethanamine
SMILESc1cc(CNCCN2CCOCC2)ccn1
InChIInChI=1S/C12H19N3O/c1-3-13-4-2-12(1)11-14-5-6-15-7-9-16-10-8-15/h1-4,14H,5-11H2
InChIKeyUQENBVFJDLCEFW-UHFFFAOYSA-N
MW221.30 g/mol
LogP0.50
Rot. Bonds5

About 2-morpholin-4-yl-N-(pyridin-4-ylmethyl)ethanamine

2-morpholin-4-yl-N-(pyridin-4-ylmethyl)ethanamine (PubChem CID 3152379) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 2-morpholin-4-yl-N-(pyridin-4-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-morpholin-4-yl-N-(pyridin-4-ylmethyl)ethanamine
PubChem CID3152379
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name2-morpholin-4-yl-N-(pyridin-4-ylmethyl)ethanamine
SMILESc1cc(CNCCN2CCOCC2)ccn1
InChIInChI=1S/C12H19N3O/c1-3-13-4-2-12(1)11-14-5-6-15-7-9-16-10-8-15/h1-4,14H,5-11H2
InChIKeyUQENBVFJDLCEFW-UHFFFAOYSA-N
XLogP0.50
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-yl-N-(pyridin-4-ylmethyl)ethanamine?
The IUPAC name of 2-morpholin-4-yl-N-(pyridin-4-ylmethyl)ethanamine (CID 3152379) is 2-morpholin-4-yl-N-(pyridin-4-ylmethyl)ethanamine.
What is the SMILES notation for 2-morpholin-4-yl-N-(pyridin-4-ylmethyl)ethanamine?
The canonical SMILES for 2-morpholin-4-yl-N-(pyridin-4-ylmethyl)ethanamine is c1cc(CNCCN2CCOCC2)ccn1.
What is the InChIKey of 2-morpholin-4-yl-N-(pyridin-4-ylmethyl)ethanamine?
The InChIKey is UQENBVFJDLCEFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-3-13-4-2-12(1)11-14-5-6-15-7-9-16-10-8-15/h1-4,14H,5-11H2.
What are the key properties of 2-morpholin-4-yl-N-(pyridin-4-ylmethyl)ethanamine?
2-morpholin-4-yl-N-(pyridin-4-ylmethyl)ethanamine has a molecular weight of 221.30 g/mol, XLogP of 0.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-yl-N-(pyridin-4-ylmethyl)ethanamine is sourced from PubChem (CID 3152379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).