(1-morpholinocyclohexyl)methanamine

CAS Number: 64269-03-0
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NCC1(CCCCC1)N1CCOCC1
Molecule Information
Mutagenic: none Tumorigenic: none Irritant: none
Formula
C11H22N2O
Molecular Weight
198.309
Drug-likeness
-3.1373
CAS
64269-03-0
InChI key
MCIDPQNLGSHVEJ-UHFFFAOYSA-N
SMILES
NCC1(CCCCC1)N1CCOCC1
ChemrytIQ

CAS Information Snapshot

1 database item
Mutagenic
none
Tumorigenic
none
Handling Watch
Irritant: none | Reproductive effective: none
PropertyValue
CAS Number 64269-03-0
Molecule Name (1-morpholinocyclohexyl)methanamine
Molecular Formula C11H22N2O
SMILES NCC1(CCCCC1)N1CCOCC1
InChI InChI=1S/C11H22N2O/c12-10-11(4-2-1-3-5-11)13-6-8-14-9-7-13/h1-10,12H2
InChI Key MCIDPQNLGSHVEJ-UHFFFAOYSA-N
CanonicalSyTyLFy f96eee1e7b515801
TotalMolweight 198.309
Molecular Weight 198.309
MonoisotopicMass 198.173213
CLogP 0.3626
CLogS -1.126
H Acceptors 3
H Donors 1
TotalSurfaceArea 163.33
Relative PSA 0.17645
PolarSurfaceArea 38.49
Drug-likeness -3.1373
Mutagenic none
Tumorigenic none
Reproductive Effective none
Irritant none
Shape Index 0.57143
Molecula Flexibility 0.46858
Molecular Complexity 0.62054
Fragments 1
Non HAtoms 14
NonCHAtoms 3
Electronegative Atoms 3
Rotatable Bond 2
Rings Closures 2
Small Rings 2
Sp3Atoms 14
Symmetricatoms 4
Amines 2
AlkylAmines 2
BasicNitrogens 2

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