(2-morpholinopyrid-4-yl)methylamine

CAS Number: 864068-88-2
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NCc1cc(N2CCOCC2)ncc1
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: none
Formula
C10H15N3O
Molecular Weight
193.249
Drug-likeness
0.93184
CAS
864068-88-2
InChI key
NHFVDBCQOZATNT-UHFFFAOYSA-N
SMILES
NCc1cc(N2CCOCC2)ncc1
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 864068-88-2
Molecule Name (2-morpholinopyrid-4-yl)methylamine
Molecular Formula C10H15N3O
SMILES NCc1cc(N2CCOCC2)ncc1
InChI InChI=1S/C10H15N3O/c11-8-9-1-2-12-10(7-9)13-3-5-14-6-4-13/h1-2,7H,3-6,8,11H2
InChI Key NHFVDBCQOZATNT-UHFFFAOYSA-N
CanonicalSyTyLFy 3a927711a6304f21
TotalMolweight 193.249
Molecular Weight 193.249
MonoisotopicMass 193.121512
CLogP -0.316
CLogS -1.409
H Acceptors 4
H Donors 1
TotalSurfaceArea 156.14
Relative PSA 0.25484
PolarSurfaceArea 51.38
Drug-likeness 0.93184
Mutagenic none
Tumorigenic none
Reproductive Effective none
Irritant none
Shape Index 0.64286
Molecula Flexibility 0.49609
Molecular Complexity 0.66755
Fragments 1
Non HAtoms 14
NonCHAtoms 4
Electronegative Atoms 4
Rotatable Bond 2
Rings Closures 2
Small Rings 2
Aromatic Rings 1
Aromatic Atoms 6
Sp3Atoms 7
Symmetricatoms 2
Amines 1
AlkylAmines 1
Aromatic Nitrogens 1
BasicNitrogens 2

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