[(1R)-2-azaniumyl-1-phenylethyl]-diethylazanium

C12H22N2+2 — CID 7127660

IUPAC[(1R)-2-azaniumyl-1-phenylethyl]-diethylazanium
SMILESCC[NH+](CC)[C@@H](C[NH3+])c1ccccc1
InChIInChI=1S/C12H20N2/c1-3-14(4-2)12(10-13)11-8-6-5-7-9-11/h5-9,12H,3-4,10,13H2,1-2H3/p+2/t12-/m0/s1
InChIKeyZXCVEIVPQIPKIO-LBPRGKRZSA-P
MW194.32 g/mol
LogP-0.11
Rot. Bonds5

About [(1R)-2-azaniumyl-1-phenylethyl]-diethylazanium

[(1R)-2-azaniumyl-1-phenylethyl]-diethylazanium (PubChem CID 7127660) has the molecular formula C12H22N2+2 and a molecular weight of 194.32 g/mol. Its IUPAC name is [(1R)-2-azaniumyl-1-phenylethyl]-diethylazanium.

Molecular Properties

Compound Name[(1R)-2-azaniumyl-1-phenylethyl]-diethylazanium
PubChem CID7127660
Molecular FormulaC12H22N2+2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC Name[(1R)-2-azaniumyl-1-phenylethyl]-diethylazanium
SMILESCC[NH+](CC)[C@@H](C[NH3+])c1ccccc1
InChIInChI=1S/C12H20N2/c1-3-14(4-2)12(10-13)11-8-6-5-7-9-11/h5-9,12H,3-4,10,13H2,1-2H3/p+2/t12-/m0/s1
InChIKeyZXCVEIVPQIPKIO-LBPRGKRZSA-P
XLogP-0.11
TPSA32.08 Ų
H-Bond Donors2
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 100

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Related Compounds

(2S)-2-(diethylazaniumyl)-2-phenylacetate
CID 6965687
cumene;2-methylpropane;propane
CID 158125037
sodium 1-phenylbutan-1-olate
CID 70503341
potassium 1-phenylbutan-1-olate
CID 70503284
benzylazanium;(2R)-2-phenylpropanoate
CID 139061083
diphenylmethanolate
CID 57466266
nitro 2-phenylbutanoate
CID 69413805
pentan-2-ylbenzene
CID 17627
(3S)-3-phenylbutanoate
CID 6950118
cumene;2-methylpropane
CID 90828344
sodium diphenylmethanolate
CID 22420719
1-phenylbutylsilane
CID 173332415

Frequently Asked Questions

What is the IUPAC name of [(1R)-2-azaniumyl-1-phenylethyl]-diethylazanium?
The IUPAC name of [(1R)-2-azaniumyl-1-phenylethyl]-diethylazanium (CID 7127660) is [(1R)-2-azaniumyl-1-phenylethyl]-diethylazanium.
What is the SMILES notation for [(1R)-2-azaniumyl-1-phenylethyl]-diethylazanium?
The canonical SMILES for [(1R)-2-azaniumyl-1-phenylethyl]-diethylazanium is CC[NH+](CC)[C@@H](C[NH3+])c1ccccc1.
What is the InChIKey of [(1R)-2-azaniumyl-1-phenylethyl]-diethylazanium?
The InChIKey is ZXCVEIVPQIPKIO-LBPRGKRZSA-P. The full InChI is InChI=1S/C12H20N2/c1-3-14(4-2)12(10-13)11-8-6-5-7-9-11/h5-9,12H,3-4,10,13H2,1-2H3/p+2/t12-/m0/s1.
What are the key properties of [(1R)-2-azaniumyl-1-phenylethyl]-diethylazanium?
[(1R)-2-azaniumyl-1-phenylethyl]-diethylazanium has a molecular weight of 194.32 g/mol, XLogP of -0.11, 5 rotatable bonds, 2 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-2-azaniumyl-1-phenylethyl]-diethylazanium is sourced from PubChem (CID 7127660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).