(2-CYCLOHEX-1-EN-1-YLETHYL)ETHYLAMINE

CAS Number: 356530-87-5
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CCNCCC1=CCCCC1
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: none
Formula
C10H19N
Molecular Weight
153.268
Drug-likeness
-4.7181
CAS
356530-87-5
InChI key
JAROGWBXHJVFDP-UHFFFAOYSA-N
SMILES
CCNCCC1=CCCCC1
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 356530-87-5
Molecule Name (2-CYCLOHEX-1-EN-1-YLETHYL)ETHYLAMINE
Molecular Formula C10H19N
SMILES CCNCCC1=CCCCC1
InChI InChI=1S/C10H19N/c1-2-11-9-8-10-6-4-3-5-7-10/h6,11H,2-5,7-9H2,1H3
InChI Key JAROGWBXHJVFDP-UHFFFAOYSA-N
CanonicalSyTyLFy 7f96a91c0c34f15e
TotalMolweight 153.268
Molecular Weight 153.268
MonoisotopicMass 153.151749
CLogP 2.1045
CLogS -2.101
H Acceptors 1
H Donors 1
TotalSurfaceArea 144.75
Relative PSA 0.079171
PolarSurfaceArea 12.03
Drug-likeness -4.7181
Mutagenic none
Tumorigenic none
Reproductive Effective none
Irritant none
Shape Index 0.81818
Molecula Flexibility 0.59944
Molecular Complexity 0.6089
Fragments 1
Non HAtoms 11
NonCHAtoms 1
Electronegative Atoms 1
Rotatable Bond 4
Rings Closures 1
Small Rings 1
Sp3Atoms 9
Amines 1
AlkylAmines 1
BasicNitrogens 1

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