5-(Propan-2-yl)pyridin-2-amine

CAS Number: 603310-75-4
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CC(C)c(cc1)cnc1N
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: none
Formula
C8H12N2
Molecular Weight
136.197
Drug-likeness
-2.1131
CAS
603310-75-4
InChI key
GXSWKKZGLOYAPE-UHFFFAOYSA-N
SMILES
CC(C)c(cc1)cnc1N
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 603310-75-4
Molecule Name 5-(Propan-2-yl)pyridin-2-amine
Molecular Formula C8H12N2
SMILES CC(C)c(cc1)cnc1N
InChI InChI=1S/C8H12N2/c1-6(2)7-3-4-8(9)10-5-7/h3-6H,1-2H3,(H2,9,10)
InChI Key GXSWKKZGLOYAPE-UHFFFAOYSA-N
CanonicalSyTyLFy b839ac75396f4020
TotalMolweight 136.197
Molecular Weight 136.197
MonoisotopicMass 136.100048
CLogP 1.5198
CLogS -2.293
H Acceptors 2
H Donors 1
TotalSurfaceArea 117.56
Relative PSA 0.22321
PolarSurfaceArea 38.91
Drug-likeness -2.1131
Mutagenic none
Tumorigenic none
Reproductive Effective none
Irritant none
Shape Index 0.7
Molecula Flexibility 0.39926
Molecular Complexity 0.6271
Fragments 1
Non HAtoms 10
NonCHAtoms 2
Electronegative Atoms 2
Rotatable Bond 1
Rings Closures 1
Small Rings 1
Aromatic Rings 1
Aromatic Atoms 6
Sp3Atoms 3
Symmetricatoms 1
Aromatic Nitrogens 1
BasicNitrogens 1

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