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

C13H21N3O — CID 3152148

IUPAC3-morpholin-4-yl-N-(pyridin-4-ylmethyl)propan-1-amine
SMILESc1cc(CNCCCN2CCOCC2)ccn1
InChIInChI=1S/C13H21N3O/c1(7-16-8-10-17-11-9-16)4-15-12-13-2-5-14-6-3-13/h2-3,5-6,15H,1,4,7-12H2
InChIKeyBWNMZQLUQBOZKU-UHFFFAOYSA-N
MW235.33 g/mol
LogP0.89
Rot. Bonds6

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

3-morpholin-4-yl-N-(pyridin-4-ylmethyl)propan-1-amine (PubChem CID 3152148) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 3-morpholin-4-yl-N-(pyridin-4-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name3-morpholin-4-yl-N-(pyridin-4-ylmethyl)propan-1-amine
PubChem CID3152148
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name3-morpholin-4-yl-N-(pyridin-4-ylmethyl)propan-1-amine
SMILESc1cc(CNCCCN2CCOCC2)ccn1
InChIInChI=1S/C13H21N3O/c1(7-16-8-10-17-11-9-16)4-15-12-13-2-5-14-6-3-13/h2-3,5-6,15H,1,4,7-12H2
InChIKeyBWNMZQLUQBOZKU-UHFFFAOYSA-N
XLogP0.89
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 50.89
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 3-morpholin-4-yl-N-(pyridin-4-ylmethyl)propan-1-amine?
The IUPAC name of 3-morpholin-4-yl-N-(pyridin-4-ylmethyl)propan-1-amine (CID 3152148) is 3-morpholin-4-yl-N-(pyridin-4-ylmethyl)propan-1-amine.
What is the SMILES notation for 3-morpholin-4-yl-N-(pyridin-4-ylmethyl)propan-1-amine?
The canonical SMILES for 3-morpholin-4-yl-N-(pyridin-4-ylmethyl)propan-1-amine is c1cc(CNCCCN2CCOCC2)ccn1.
What is the InChIKey of 3-morpholin-4-yl-N-(pyridin-4-ylmethyl)propan-1-amine?
The InChIKey is BWNMZQLUQBOZKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1(7-16-8-10-17-11-9-16)4-15-12-13-2-5-14-6-3-13/h2-3,5-6,15H,1,4,7-12H2.
What are the key properties of 3-morpholin-4-yl-N-(pyridin-4-ylmethyl)propan-1-amine?
3-morpholin-4-yl-N-(pyridin-4-ylmethyl)propan-1-amine has a molecular weight of 235.33 g/mol, XLogP of 0.89, 6 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-(pyridin-4-ylmethyl)propan-1-amine is sourced from PubChem (CID 3152148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).