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 Charge	0
Atom Count	26
Chiral Atom Count	1
Bond Count	27
Aromatic Bond Count	6

2D diagram of A1A3U

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Chemical Component Summary
Name	N-[(1S)-1-(pyridin-3-yl)ethyl]cyclopropanamine
Systematic Name (OpenEye OEToolkits)	~{N}-[(1~{S})-1-pyridin-3-ylethyl]cyclopropanamine
Formula	C₁₀ H₁₄ N₂
Molecular Weight	162.232
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	14.52	CC(NC1CC1)c1cccnc1
SMILES	CACTVS	3.385	C[CH](NC1CC1)c2cccnc2
SMILES	OpenEye OEToolkits	3.1.0.0	CC(c1cccnc1)NC2CC2
Canonical SMILES	CACTVS	3.385	C[C@H](NC1CC1)c2cccnc2
Canonical SMILES	OpenEye OEToolkits	3.1.0.0	C[C@@H](c1cccnc1)NC2CC2
InChI	InChI	1.06	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
InChIKey	InChI	1.06	XJCXOPUZWYXCES-QMMMGPOBSA-N

Related Resource References

Resource Name	Reference
PubChem	26385082

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