2-aminoethyl(trimethyl)azanium hydroxide

C5H16N2O — CID 23084973

IUPAC2-aminoethyl(trimethyl)azanium hydroxide
SMILESC[N+](C)(C)CCN.[OH-]
InChIInChI=1S/C5H15N2.H2O/c1-7(2,3)5-4-6;/h4-6H2,1-3H3;1H2/q+1;/p-1
InChIKeyWSOFCHXXCYSXAI-UHFFFAOYSA-M
MW120.20 g/mol
LogP-0.53
Rot. Bonds2

About 2-aminoethyl(trimethyl)azanium hydroxide

2-aminoethyl(trimethyl)azanium hydroxide (PubChem CID 23084973) has the molecular formula C5H16N2O and a molecular weight of 120.20 g/mol. Its IUPAC name is 2-aminoethyl(trimethyl)azanium hydroxide.

Molecular Properties

Compound Name2-aminoethyl(trimethyl)azanium hydroxide
PubChem CID23084973
Molecular FormulaC5H16N2O
Molecular Weight120.20 g/mol
Exact Mass120.13
IUPAC Name2-aminoethyl(trimethyl)azanium hydroxide
SMILESC[N+](C)(C)CCN.[OH-]
InChIInChI=1S/C5H15N2.H2O/c1-7(2,3)5-4-6;/h4-6H2,1-3H3;1H2/q+1;/p-1
InChIKeyWSOFCHXXCYSXAI-UHFFFAOYSA-M
XLogP-0.53
TPSA56.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.20
LogP ≤ 5-0.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-aminoethyl(trimethyl)azanium hydroxide?
The IUPAC name of 2-aminoethyl(trimethyl)azanium hydroxide (CID 23084973) is 2-aminoethyl(trimethyl)azanium hydroxide.
What is the SMILES notation for 2-aminoethyl(trimethyl)azanium hydroxide?
The canonical SMILES for 2-aminoethyl(trimethyl)azanium hydroxide is C[N+](C)(C)CCN.[OH-].
What is the InChIKey of 2-aminoethyl(trimethyl)azanium hydroxide?
The InChIKey is WSOFCHXXCYSXAI-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H15N2.H2O/c1-7(2,3)5-4-6;/h4-6H2,1-3H3;1H2/q+1;/p-1.
What are the key properties of 2-aminoethyl(trimethyl)azanium hydroxide?
2-aminoethyl(trimethyl)azanium hydroxide has a molecular weight of 120.20 g/mol, XLogP of -0.53, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoethyl(trimethyl)azanium hydroxide is sourced from PubChem (CID 23084973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).