1-methylcyclopentan-1-amine Hydrochloride

CAS Number: 102014-58-4
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CC1(CCCC1)N.Cl
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: none
Formula
HCl.C6H13N
Molecular Weight
99.1762
Drug-likeness
-5.4368
CAS
102014-58-4
InChI key
HIACBHAMKCSYFB-UHFFFAOYSA-N
SMILES
CC1(CCCC1)N.Cl
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 102014-58-4
Molecule Name 1-methylcyclopentan-1-amine Hydrochloride
Molecular Formula HCl.C6H13N
SMILES CC1(CCCC1)N.Cl
InChI InChI=1S/C6H13N.ClH/c1-6(7)4-2-3-5-6;/h2-5,7H2,1H3;1H
InChI Key HIACBHAMKCSYFB-UHFFFAOYSA-N
CanonicalSyTyLFy 3f143b5b4f991809
TotalMolweight 135.637
Molecular Weight 99.1762
MonoisotopicMass 99.104799
CLogP 0.7581
CLogS -1.666
H Acceptors 1
H Donors 1
TotalSurfaceArea 86.23
Relative PSA 0.17708
PolarSurfaceArea 26.02
Drug-likeness -5.4368
Mutagenic none
Tumorigenic none
Reproductive Effective none
Irritant none
Shape Index 0.57143
Molecular Complexity 0.69315
Fragments 2
Non HAtoms 7
NonCHAtoms 1
Electronegative Atoms 1
Rings Closures 1
Small Rings 1
Sp3Atoms 7
Symmetricatoms 2
Amines 1
AlkylAmines 1
BasicNitrogens 1

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