1-(4-methyl-6-morpholin-4-yl-3-pyridinyl)propan-1-amine

C13H21N3O — CID 102545557

IUPAC1-(4-methyl-6-morpholin-4-yl-3-pyridinyl)propan-1-amine
SMILESCCC(N)c1cnc(N2CCOCC2)cc1C
InChIInChI=1S/C13H21N3O/c1-3-12(14)11-9-15-13(8-10(11)2)16-4-6-17-7-5-16/h8-9,12H,3-7,14H2,1-2H3
InChIKeyPVRUMSDRFCSJBE-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.64
Rot. Bonds3

About 1-(4-methyl-6-morpholin-4-yl-3-pyridinyl)propan-1-amine

1-(4-methyl-6-morpholin-4-yl-3-pyridinyl)propan-1-amine (PubChem CID 102545557) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 1-(4-methyl-6-morpholin-4-yl-3-pyridinyl)propan-1-amine.

Molecular Properties

Compound Name1-(4-methyl-6-morpholin-4-yl-3-pyridinyl)propan-1-amine
PubChem CID102545557
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name1-(4-methyl-6-morpholin-4-yl-3-pyridinyl)propan-1-amine
SMILESCCC(N)c1cnc(N2CCOCC2)cc1C
InChIInChI=1S/C13H21N3O/c1-3-12(14)11-9-15-13(8-10(11)2)16-4-6-17-7-5-16/h8-9,12H,3-7,14H2,1-2H3
InChIKeyPVRUMSDRFCSJBE-UHFFFAOYSA-N
XLogP1.64
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methyl-6-morpholin-4-yl-3-pyridinyl)propan-1-amine?
The IUPAC name of 1-(4-methyl-6-morpholin-4-yl-3-pyridinyl)propan-1-amine (CID 102545557) is 1-(4-methyl-6-morpholin-4-yl-3-pyridinyl)propan-1-amine.
What is the SMILES notation for 1-(4-methyl-6-morpholin-4-yl-3-pyridinyl)propan-1-amine?
The canonical SMILES for 1-(4-methyl-6-morpholin-4-yl-3-pyridinyl)propan-1-amine is CCC(N)c1cnc(N2CCOCC2)cc1C.
What is the InChIKey of 1-(4-methyl-6-morpholin-4-yl-3-pyridinyl)propan-1-amine?
The InChIKey is PVRUMSDRFCSJBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-3-12(14)11-9-15-13(8-10(11)2)16-4-6-17-7-5-16/h8-9,12H,3-7,14H2,1-2H3.
What are the key properties of 1-(4-methyl-6-morpholin-4-yl-3-pyridinyl)propan-1-amine?
1-(4-methyl-6-morpholin-4-yl-3-pyridinyl)propan-1-amine has a molecular weight of 235.33 g/mol, XLogP of 1.64, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methyl-6-morpholin-4-yl-3-pyridinyl)propan-1-amine is sourced from PubChem (CID 102545557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).