N-[[4-(2-ethylmorpholin-4-yl)-3-pyridinyl]methyl]ethanamine

C14H23N3O — CID 81246777

IUPACN-[[4-(2-ethylmorpholin-4-yl)-3-pyridinyl]methyl]ethanamine
SMILESCCNCc1cnccc1N1CCOC(CC)C1
InChIInChI=1S/C14H23N3O/c1-3-13-11-17(7-8-18-13)14-5-6-16-10-12(14)9-15-4-2/h5-6,10,13,15H,3-4,7-9,11H2,1-2H3
InChIKeyPBYOFTUTUJILNP-UHFFFAOYSA-N
MW249.36 g/mol
LogP1.81
Rot. Bonds5

About N-[[4-(2-ethylmorpholin-4-yl)-3-pyridinyl]methyl]ethanamine

N-[[4-(2-ethylmorpholin-4-yl)-3-pyridinyl]methyl]ethanamine (PubChem CID 81246777) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is N-[[4-(2-ethylmorpholin-4-yl)-3-pyridinyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[4-(2-ethylmorpholin-4-yl)-3-pyridinyl]methyl]ethanamine
PubChem CID81246777
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC NameN-[[4-(2-ethylmorpholin-4-yl)-3-pyridinyl]methyl]ethanamine
SMILESCCNCc1cnccc1N1CCOC(CC)C1
InChIInChI=1S/C14H23N3O/c1-3-13-11-17(7-8-18-13)14-5-6-16-10-12(14)9-15-4-2/h5-6,10,13,15H,3-4,7-9,11H2,1-2H3
InChIKeyPBYOFTUTUJILNP-UHFFFAOYSA-N
XLogP1.81
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-ethylmorpholin-4-yl)-3-pyridinyl]methyl]ethanamine?
The IUPAC name of N-[[4-(2-ethylmorpholin-4-yl)-3-pyridinyl]methyl]ethanamine (CID 81246777) is N-[[4-(2-ethylmorpholin-4-yl)-3-pyridinyl]methyl]ethanamine.
What is the SMILES notation for N-[[4-(2-ethylmorpholin-4-yl)-3-pyridinyl]methyl]ethanamine?
The canonical SMILES for N-[[4-(2-ethylmorpholin-4-yl)-3-pyridinyl]methyl]ethanamine is CCNCc1cnccc1N1CCOC(CC)C1.
What is the InChIKey of N-[[4-(2-ethylmorpholin-4-yl)-3-pyridinyl]methyl]ethanamine?
The InChIKey is PBYOFTUTUJILNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-3-13-11-17(7-8-18-13)14-5-6-16-10-12(14)9-15-4-2/h5-6,10,13,15H,3-4,7-9,11H2,1-2H3.
What are the key properties of N-[[4-(2-ethylmorpholin-4-yl)-3-pyridinyl]methyl]ethanamine?
N-[[4-(2-ethylmorpholin-4-yl)-3-pyridinyl]methyl]ethanamine has a molecular weight of 249.36 g/mol, XLogP of 1.81, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-ethylmorpholin-4-yl)-3-pyridinyl]methyl]ethanamine is sourced from PubChem (CID 81246777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).