3,5,7-Trimethyltricyclo[3.3.1.1~3,7~]decan-1-amine--hydrogen chloride (1/1)

CAS Number: 15210-60-3
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CC(CC(C)(C1)C2)(CC1(C)C1)CC12N.Cl
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: none
Formula
HCl.C13H23N
Molecular Weight
193.333
Drug-likeness
-0.80275
CAS
15210-60-3
InChI key
HOZQWSJTVWTWDT-UHFFFAOYSA-N
SMILES
CC(CC(C)(C1)C2)(CC1(C)C1)CC12N.Cl
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 15210-60-3
Molecule Name 3,5,7-Trimethyltricyclo[3.3.1.1~3,7~]decan-1-amine--hydrogen chloride (1/1)
Molecular Formula HCl.C13H23N
SMILES CC(CC(C)(C1)C2)(CC1(C)C1)CC12N.Cl
InChI InChI=1S/C13H23N.ClH/c1-10-4-11(2)6-12(3,5-10)9-13(14,7-10)8-11;/h4-9,14H2,1-3H3;1H
InChI Key HOZQWSJTVWTWDT-UHFFFAOYSA-N
CanonicalSyTyLFy be3403b8096be6b4
TotalMolweight 229.794
Molecular Weight 193.333
MonoisotopicMass 193.183049
CLogP 2.3161
CLogS -3.119
H Acceptors 1
H Donors 1
TotalSurfaceArea 142.5
Relative PSA 0.10716
PolarSurfaceArea 26.02
Drug-likeness -0.80275
Mutagenic none
Tumorigenic none
Reproductive Effective none
Irritant none
Shape Index 0.35714
Molecula Flexibility 0.015173
Molecular Complexity 0.68393
Fragments 2
Non HAtoms 14
NonCHAtoms 1
Electronegative Atoms 1
Rings Closures 3
Small Rings 4
Sp3Atoms 14
Symmetricatoms 8
Amines 1
AlkylAmines 1
BasicNitrogens 1

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