(2R,5R)-2,5-Dimethylpyrrolidin-1-amine

CAS Number: 834880-35-2
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C[C@H](CC[C@H]1C)N1N
Molecule Information
Mutagenic: none Tumorigenic: low Irritant: low
Formula
C6H14N2
Molecular Weight
114.191
Drug-likeness
-2.1125
CAS
834880-35-2
InChI key
JAOYAXFZIAGXFI-PHDIDXHHSA-N
SMILES
C[C@H](CC[C@H]1C)N1N
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
low
Handling Watch
Irritant: low | Reproductive effective: none
PropertyValue
CAS Number 834880-35-2
Molecule Name (2R,5R)-2,5-Dimethylpyrrolidin-1-amine
Molecular Formula C6H14N2
SMILES C[C@H](CC[C@H]1C)N1N
InChI InChI=1S/C6H14N2/c1-5-3-4-6(2)8(5)7/h5-6H,3-4,7H2,1-2H3/t5-,6-/m1/s1
InChI Key JAOYAXFZIAGXFI-PHDIDXHHSA-N
CanonicalSyTyLFy fd7c298a16220cb2
TotalMolweight 114.191
Molecular Weight 114.191
MonoisotopicMass 114.115698
CLogP -0.2559
CLogS -1.467
H Acceptors 2
H Donors 1
TotalSurfaceArea 95.86
Relative PSA 0.19633
PolarSurfaceArea 29.26
Drug-likeness -2.1125
Mutagenic none
Tumorigenic low
Reproductive Effective none
Irritant low
Shape Index 0.625
Molecular Complexity 0.59947
Fragments 1
Non HAtoms 8
NonCHAtoms 2
Electronegative Atoms 2
StereoCenters 2
Rings Closures 1
Small Rings 1
Sp3Atoms 8
Symmetricatoms 3
StereoCon this enantiomer

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