2-anilinoethyl(diethyl)azanium

C12H21N2+ — CID 6950706

IUPAC2-anilinoethyl(diethyl)azanium
SMILESCC[NH+](CC)CCNc1ccccc1
InChIInChI=1S/C12H20N2/c1-3-14(4-2)11-10-13-12-8-6-5-7-9-12/h5-9,13H,3-4,10-11H2,1-2H3/p+1
InChIKeyQUMIGAREEPSVLG-UHFFFAOYSA-O
MW193.31 g/mol
LogP1.02
Rot. Bonds6

About 2-anilinoethyl(diethyl)azanium

2-anilinoethyl(diethyl)azanium (PubChem CID 6950706) has the molecular formula C12H21N2+ and a molecular weight of 193.31 g/mol. Its IUPAC name is 2-anilinoethyl(diethyl)azanium.

Molecular Properties

Compound Name2-anilinoethyl(diethyl)azanium
PubChem CID6950706
Molecular FormulaC12H21N2+
Molecular Weight193.31 g/mol
Exact Mass193.17
IUPAC Name2-anilinoethyl(diethyl)azanium
SMILESCC[NH+](CC)CCNc1ccccc1
InChIInChI=1S/C12H20N2/c1-3-14(4-2)11-10-13-12-8-6-5-7-9-12/h5-9,13H,3-4,10-11H2,1-2H3/p+1
InChIKeyQUMIGAREEPSVLG-UHFFFAOYSA-O
XLogP1.02
TPSA16.47 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.31
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

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N-(2-propylsulfanylethyl)aniline
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Frequently Asked Questions

What is the IUPAC name of 2-anilinoethyl(diethyl)azanium?
The IUPAC name of 2-anilinoethyl(diethyl)azanium (CID 6950706) is 2-anilinoethyl(diethyl)azanium.
What is the SMILES notation for 2-anilinoethyl(diethyl)azanium?
The canonical SMILES for 2-anilinoethyl(diethyl)azanium is CC[NH+](CC)CCNc1ccccc1.
What is the InChIKey of 2-anilinoethyl(diethyl)azanium?
The InChIKey is QUMIGAREEPSVLG-UHFFFAOYSA-O. The full InChI is InChI=1S/C12H20N2/c1-3-14(4-2)11-10-13-12-8-6-5-7-9-12/h5-9,13H,3-4,10-11H2,1-2H3/p+1.
What are the key properties of 2-anilinoethyl(diethyl)azanium?
2-anilinoethyl(diethyl)azanium has a molecular weight of 193.31 g/mol, XLogP of 1.02, 6 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-anilinoethyl(diethyl)azanium is sourced from PubChem (CID 6950706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).