A1A3U

N-[(1S)-1-(pyridin-3-yl)ethyl]cyclopropanamine

Created:2024-08-29
Last modified:  2024-11-06

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Chemical Details

Formal Charge0
Atom Count26
Chiral Atom Count1
Bond Count27
Aromatic Bond Count6
2D diagram of A1A3U

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Chemical Component Summary

NameN-[(1S)-1-(pyridin-3-yl)ethyl]cyclopropanamine
Systematic Name (OpenEye OEToolkits)~{N}-[(1~{S})-1-pyridin-3-ylethyl]cyclopropanamine
FormulaC10 H14 N2
Molecular Weight162.232
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs14.52CC(NC1CC1)c1cccnc1
SMILESCACTVS3.385C[CH](NC1CC1)c2cccnc2
SMILESOpenEye OEToolkits3.1.0.0CC(c1cccnc1)NC2CC2
Canonical SMILESCACTVS3.385 C[C@H](NC1CC1)c2cccnc2
Canonical SMILESOpenEye OEToolkits3.1.0.0 C[C@@H](c1cccnc1)NC2CC2
InChIInChI1.06 InChI=1S/C10H14N2/c1-8(12-10-4-5-10)9-3-2-6-11-7-9/h2-3,6-8,10,12H,4-5H2,1H3/t8-/m0/s1
InChIKeyInChI1.06 XJCXOPUZWYXCES-QMMMGPOBSA-N

Related Resource References

Resource NameReference
PubChem 26385082