3-morpholin-4-yl-N-(2-pyridin-2-ylethyl)propan-1-amine

C14H23N3O — CID 60649527

IUPAC3-morpholin-4-yl-N-(2-pyridin-2-ylethyl)propan-1-amine
SMILESc1ccc(CCNCCCN2CCOCC2)nc1
InChIInChI=1S/C14H23N3O/c1-2-7-16-14(4-1)5-8-15-6-3-9-17-10-12-18-13-11-17/h1-2,4,7,15H,3,5-6,8-13H2
InChIKeyYFTOTDHDDQYGFC-UHFFFAOYSA-N
MW249.36 g/mol
LogP0.94
Rot. Bonds7

About 3-morpholin-4-yl-N-(2-pyridin-2-ylethyl)propan-1-amine

3-morpholin-4-yl-N-(2-pyridin-2-ylethyl)propan-1-amine (PubChem CID 60649527) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 3-morpholin-4-yl-N-(2-pyridin-2-ylethyl)propan-1-amine.

Molecular Properties

Compound Name3-morpholin-4-yl-N-(2-pyridin-2-ylethyl)propan-1-amine
PubChem CID60649527
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name3-morpholin-4-yl-N-(2-pyridin-2-ylethyl)propan-1-amine
SMILESc1ccc(CCNCCCN2CCOCC2)nc1
InChIInChI=1S/C14H23N3O/c1-2-7-16-14(4-1)5-8-15-6-3-9-17-10-12-18-13-11-17/h1-2,4,7,15H,3,5-6,8-13H2
InChIKeyYFTOTDHDDQYGFC-UHFFFAOYSA-N
XLogP0.94
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 50.94
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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Related Compounds

2-(4-morpholin-4-ylbutyl)-1-(2-pyridin-2-ylethyl)guanidine
CID 111059887
3-piperidin-1-yl-N-(pyridin-2-ylmethyl)propan-1-amine
CID 28657609
3-morpholin-4-yl-N-(quinolin-4-ylmethyl)propan-1-amine
CID 63850211
4-(3-pyrimidin-2-ylpropyl)morpholine
CID 170871392
N'-[2-(2-pyridin-2-ylethylamino)ethyl]ethane-1,2-diamine;tetrahydrochloride
CID 11530463
3-morpholin-4-yl-N-[[4-[(3-morpholin-4-ylpropylamino)methyl]phenyl]methyl]propan-1-amine
CID 24899046
3-(3,5-dimethylpyrazol-1-yl)-N-(2-pyridin-2-ylethyl)propan-1-amine
CID 115571467
N-(3-morpholin-4-ylpropyl)quinolin-4-amine
CID 61340085
4-(3-pyrimidin-4-ylpropyl)morpholine
CID 170871346
N-(piperazin-1-ylmethyl)-2-pyridin-2-ylethanamine
CID 115230160
2-(oxolan-3-yl)-N-(2-pyridin-2-ylethyl)ethanamine
CID 102671285
3-morpholin-4-yl-N-(3-phenothiazin-10-ylpropyl)propan-1-amine
CID 171358116

Frequently Asked Questions

What is the IUPAC name of 3-morpholin-4-yl-N-(2-pyridin-2-ylethyl)propan-1-amine?
The IUPAC name of 3-morpholin-4-yl-N-(2-pyridin-2-ylethyl)propan-1-amine (CID 60649527) is 3-morpholin-4-yl-N-(2-pyridin-2-ylethyl)propan-1-amine.
What is the SMILES notation for 3-morpholin-4-yl-N-(2-pyridin-2-ylethyl)propan-1-amine?
The canonical SMILES for 3-morpholin-4-yl-N-(2-pyridin-2-ylethyl)propan-1-amine is c1ccc(CCNCCCN2CCOCC2)nc1.
What is the InChIKey of 3-morpholin-4-yl-N-(2-pyridin-2-ylethyl)propan-1-amine?
The InChIKey is YFTOTDHDDQYGFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-2-7-16-14(4-1)5-8-15-6-3-9-17-10-12-18-13-11-17/h1-2,4,7,15H,3,5-6,8-13H2.
What are the key properties of 3-morpholin-4-yl-N-(2-pyridin-2-ylethyl)propan-1-amine?
3-morpholin-4-yl-N-(2-pyridin-2-ylethyl)propan-1-amine has a molecular weight of 249.36 g/mol, XLogP of 0.94, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-morpholin-4-yl-N-(2-pyridin-2-ylethyl)propan-1-amine is sourced from PubChem (CID 60649527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).