N-(Piperidin-1-yl)propan-2-imine

CAS Number: 100033-59-8
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CC(C)=NN1CCCCC1
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: none
Formula
C8H16N2
Molecular Weight
140.229
Drug-likeness
0.9406
CAS
100033-59-8
InChI key
MKRIMUGXKATKDI-UHFFFAOYSA-N
SMILES
CC(C)=NN1CCCCC1
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 100033-59-8
Molecule Name N-(Piperidin-1-yl)propan-2-imine
Molecular Formula C8H16N2
SMILES CC(C)=NN1CCCCC1
InChI InChI=1S/C8H16N2/c1-8(2)9-10-6-4-3-5-7-10/h3-7H2,1-2H3
InChI Key MKRIMUGXKATKDI-UHFFFAOYSA-N
CanonicalSyTyLFy 373e86f8dfad782b
TotalMolweight 140.229
Molecular Weight 140.229
MonoisotopicMass 140.131348
CLogP 1.4412
CLogS -1.686
H Acceptors 2
TotalSurfaceArea 126.59
Relative PSA 0.11897
PolarSurfaceArea 15.6
Drug-likeness 0.9406
Mutagenic none
Tumorigenic none
Reproductive Effective none
Irritant none
Shape Index 0.7
Molecula Flexibility 0.41043
Molecular Complexity 0.52781
Fragments 1
Non HAtoms 10
NonCHAtoms 2
Electronegative Atoms 2
Rotatable Bond 1
Rings Closures 1
Small Rings 1
Sp3Atoms 8
Symmetricatoms 3

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