A1A3X

2-[(2S)-2-methylpiperidin-1-yl]ethan-1-amine

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

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Chemical Details

Formal Charge0
Atom Count28
Chiral Atom Count1
Bond Count28
Aromatic Bond Count0
2D diagram of A1A3X

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Chemical Component Summary

Name2-[(2S)-2-methylpiperidin-1-yl]ethan-1-amine
Systematic Name (OpenEye OEToolkits)2-[(2~{R})-2-methylpiperidin-1-yl]ethanamine
FormulaC8 H18 N2
Molecular Weight142.242
TypeNON-POLYMER

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs14.52NCCN1CCCCC1C
SMILESCACTVS3.385C[CH]1CCCCN1CCN
SMILESOpenEye OEToolkits3.1.0.0CC1CCCCN1CCN
Canonical SMILESCACTVS3.385 C[C@H]1CCCCN1CCN
Canonical SMILESOpenEye OEToolkits3.1.0.0 C[C@@H]1CCCCN1CCN
InChIInChI1.06 InChI=1S/C8H18N2/c1-8-4-2-3-6-10(8)7-5-9/h8H,2-7,9H2,1H3/t8-/m0/s1
InChIKeyInChI1.06 DBSDZVMWEMKFCH-QMMMGPOBSA-N

Related Resource References

Resource NameReference
PubChem 783698