1-aminoethyl(triethyl)azanium hydroxide

C8H22N2O — CID 174922133

IUPAC1-aminoethyl(triethyl)azanium hydroxide
SMILESCC[N+](CC)(CC)C(C)N.[OH-]
InChIInChI=1S/C8H21N2.H2O/c1-5-10(6-2,7-3)8(4)9;/h8H,5-7,9H2,1-4H3;1H2/q+1;/p-1
InChIKeyIMYIAVXEONGTRT-UHFFFAOYSA-M
MW162.28 g/mol
LogP0.99
Rot. Bonds4

About 1-aminoethyl(triethyl)azanium hydroxide

1-aminoethyl(triethyl)azanium hydroxide (PubChem CID 174922133) has the molecular formula C8H22N2O and a molecular weight of 162.28 g/mol. Its IUPAC name is 1-aminoethyl(triethyl)azanium hydroxide.

Molecular Properties

Compound Name1-aminoethyl(triethyl)azanium hydroxide
PubChem CID174922133
Molecular FormulaC8H22N2O
Molecular Weight162.28 g/mol
Exact Mass162.17
IUPAC Name1-aminoethyl(triethyl)azanium hydroxide
SMILESCC[N+](CC)(CC)C(C)N.[OH-]
InChIInChI=1S/C8H21N2.H2O/c1-5-10(6-2,7-3)8(4)9;/h8H,5-7,9H2,1-4H3;1H2/q+1;/p-1
InChIKeyIMYIAVXEONGTRT-UHFFFAOYSA-M
XLogP0.99
TPSA56.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.28
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Analyze 1-aminoethyl(triethyl)azanium hydroxide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

triethyl(3-methylbutan-2-yl)azanium
CID 178182699
diethyl-propan-2-yl-propylazanium
CID 22044352
1-(ethyldisulfanyl)ethanamine
CID 89147377
triethyl-[1-(trimethylazaniumyl)propan-2-yl]azanium
CID 166895994
triethyl(hexan-2-yl)azanium
CID 88691011
butan-2-amine;(2R)-butan-2-amine;methane
CID 160926504
ethyl-tris(1-hydroxyethyl)azanium hydroxide
CID 88688051
2-butan-2-ylsulfanylpentan-3-amine
CID 64613429
2-aminopropanoic acid;tetraethylazanium
CID 175034793
propan-2-amine;propane;propan-2-ol
CID 161404449
bis[diethyl(methyl)azaniumyl]methyl-diethyl-methylazanium
CID 59309138
CID 169430456
CID 169430456

Frequently Asked Questions

What is the IUPAC name of 1-aminoethyl(triethyl)azanium hydroxide?
The IUPAC name of 1-aminoethyl(triethyl)azanium hydroxide (CID 174922133) is 1-aminoethyl(triethyl)azanium hydroxide.
What is the SMILES notation for 1-aminoethyl(triethyl)azanium hydroxide?
The canonical SMILES for 1-aminoethyl(triethyl)azanium hydroxide is CC[N+](CC)(CC)C(C)N.[OH-].
What is the InChIKey of 1-aminoethyl(triethyl)azanium hydroxide?
The InChIKey is IMYIAVXEONGTRT-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H21N2.H2O/c1-5-10(6-2,7-3)8(4)9;/h8H,5-7,9H2,1-4H3;1H2/q+1;/p-1.
What are the key properties of 1-aminoethyl(triethyl)azanium hydroxide?
1-aminoethyl(triethyl)azanium hydroxide has a molecular weight of 162.28 g/mol, XLogP of 0.99, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-aminoethyl(triethyl)azanium hydroxide is sourced from PubChem (CID 174922133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).