Iodomethane--9-[2-(1-methylpiperidin-2-yl)ethyl]-9H-carbazole (1/1)

Formula:CH3I.C20H24N2 CAS:100027-27-8 ChemrytIQ

PropertyValue
Casrn100027-27-8
MolNameIodomethane--9-[2-(1-methylpiperidin-2-yl)ethyl]-9H-carbazole (1/1)
MolecularFormulaCH3I.C20H24N2
SmilesCN1C(CCn2c(cccc3)c3c3c2cccc3)CCCC1.CI
InChIInChI=1S/C20H24N2.CH3I/c1-21-14-7-6-8-16(21)13-15-22-19-11-4-2-9-17(19)18-10-3-5-12-20(18)22;1-2/h2-5,9-12,16H,6-8,13-15H2,1H3;1H3/t16-;/m1./s1
InChIKMKQSDDHQBYKDGL-PKLMIRHRSA-N
CanonicalSyTyLFy1b9f473acc1fd343
TotalMolweight434.359
Molweight292.425
MonoisotopicMass292.193948
CLogP4.204
CLogS-3.737
H Acceptors2
TotalSurfaceArea235.78
Relative PSA0.044194
PolarSurfaceArea8.17
Druglikeness3.4994
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functions
Shape Index0.5
Molecula Flexibility0.37419
Molecular Complexity0.78589
Fragments2
Non HAtoms22
NonCHAtoms2
Electronegative Atoms2
StereoCenters1
Rotatable Bond3
Rings Closures4
Small Rings4
Aromatic Rings3
Aromatic Atoms13
Sp3Atoms9
Symmetricatoms6
Amines1
AlkylAmines1
Aromatic Nitrogens1
BasicNitrogens1
StereoConracemate
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