(2R)-1-Methyl-2-[(pyrrolidin-1-yl)methyl]pyrrolidine

CAS Number: 1217638-41-9
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CN1[C@@H](CN2CCCC2)CCC1
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: none
Formula
C10H20N2
Molecular Weight
168.283
Drug-likeness
6.7567
CAS
1217638-41-9
InChI key
QXYPUAXZYCLIJM-SNVBAGLBSA-N
SMILES
CN1[C@@H](CN2CCCC2)CCC1
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 1217638-41-9
Molecule Name (2R)-1-Methyl-2-[(pyrrolidin-1-yl)methyl]pyrrolidine
Molecular Formula C10H20N2
SMILES CN1[C@@H](CN2CCCC2)CCC1
InChI InChI=1S/C10H20N2/c1-11-6-4-5-10(11)9-12-7-2-3-8-12/h10H,2-9H2,1H3/t10-/m1/s1
InChI Key QXYPUAXZYCLIJM-SNVBAGLBSA-N
CanonicalSyTyLFy 4068b24a11f3a5aa
TotalMolweight 168.283
Molecular Weight 168.283
MonoisotopicMass 168.162648
CLogP 1.0646
CLogS -0.68
H Acceptors 2
TotalSurfaceArea 141.94
Relative PSA 0.050021
PolarSurfaceArea 6.48
Drug-likeness 6.7567
Mutagenic none
Tumorigenic none
Reproductive Effective none
Irritant none
Shape Index 0.58333
Molecula Flexibility 0.38068
Molecular Complexity 0.61481
Fragments 1
Non HAtoms 12
NonCHAtoms 2
Electronegative Atoms 2
StereoCenters 1
Rotatable Bond 2
Rings Closures 2
Small Rings 2
Sp3Atoms 12
Symmetricatoms 2
Amines 2
AlkylAmines 2
BasicNitrogens 2
StereoCon this enantiomer

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