8-[3-(Morpholin-4-yl)propyl]-8-azaspiro[4.5]decane--hydrogen chloride (1/1)

CAS Number: 94462-73-4
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C(CN1CCC2(CCCC2)CC1)CN1CCOCC1.Cl
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: none
Formula
HCl.C16H30N2O
Molecular Weight
266.427
Drug-likeness
3.6132
CAS
94462-73-4
InChI key
LMJHJYHCFYASJW-UHFFFAOYSA-N
SMILES
C(CN1CCC2(CCCC2)CC1)CN1CCOCC1.Cl
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 94462-73-4
Molecule Name 8-[3-(Morpholin-4-yl)propyl]-8-azaspiro[4.5]decane--hydrogen chloride (1/1)
Molecular Formula HCl.C16H30N2O
SMILES C(CN1CCC2(CCCC2)CC1)CN1CCOCC1.Cl
InChI InChI=1S/C16H30N2O.ClH/c1-2-5-16(4-1)6-10-17(11-7-16)8-3-9-18-12-14-19-15-13-18;/h1-15H2;1H
InChI Key LMJHJYHCFYASJW-UHFFFAOYSA-N
CanonicalSyTyLFy 54606b792d4b56e9
TotalMolweight 302.888
Molecular Weight 266.427
MonoisotopicMass 266.235813
CLogP 2.1122
CLogS -1.486
H Acceptors 3
TotalSurfaceArea 220.41
Relative PSA 0.077583
PolarSurfaceArea 15.71
Drug-likeness 3.6132
Mutagenic none
Tumorigenic none
Reproductive Effective none
Irritant none
Shape Index 0.68421
Molecula Flexibility 0.47381
Molecular Complexity 0.59188
Fragments 2
Non HAtoms 19
NonCHAtoms 3
Electronegative Atoms 3
Rotatable Bond 4
Rings Closures 3
Small Rings 3
Sp3Atoms 19
Symmetricatoms 6
Amines 2
AlkylAmines 2
BasicNitrogens 2

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