N-ethylethanamine;tris(hydroxymethyl)-methylazanium

C8H23N2O3+ — CID 172747239

IUPACN-ethylethanamine;tris(hydroxymethyl)-methylazanium
SMILESCCNCC.C[N+](CO)(CO)CO
InChIInChI=1S/C4H12NO3.C4H11N/c1-5(2-6,3-7)4-8;1-3-5-4-2/h6-8H,2-4H2,1H3;5H,3-4H2,1-2H3/q+1;
InChIKeyJWUAEAIKHKIZGY-UHFFFAOYSA-N
MW195.28 g/mol
LogP-1.10
Rot. Bonds5

About N-ethylethanamine;tris(hydroxymethyl)-methylazanium

N-ethylethanamine;tris(hydroxymethyl)-methylazanium (PubChem CID 172747239) has the molecular formula C8H23N2O3+ and a molecular weight of 195.28 g/mol. Its IUPAC name is N-ethylethanamine;tris(hydroxymethyl)-methylazanium.

Molecular Properties

Compound NameN-ethylethanamine;tris(hydroxymethyl)-methylazanium
PubChem CID172747239
Molecular FormulaC8H23N2O3+
Molecular Weight195.28 g/mol
Exact Mass195.17
IUPAC NameN-ethylethanamine;tris(hydroxymethyl)-methylazanium
SMILESCCNCC.C[N+](CO)(CO)CO
InChIInChI=1S/C4H12NO3.C4H11N/c1-5(2-6,3-7)4-8;1-3-5-4-2/h6-8H,2-4H2,1H3;5H,3-4H2,1-2H3/q+1;
InChIKeyJWUAEAIKHKIZGY-UHFFFAOYSA-N
XLogP-1.10
TPSA72.72 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.28
LogP ≤ 5-1.10
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-ethylethanamine;tris(hydroxymethyl)-methylazanium?
The IUPAC name of N-ethylethanamine;tris(hydroxymethyl)-methylazanium (CID 172747239) is N-ethylethanamine;tris(hydroxymethyl)-methylazanium.
What is the SMILES notation for N-ethylethanamine;tris(hydroxymethyl)-methylazanium?
The canonical SMILES for N-ethylethanamine;tris(hydroxymethyl)-methylazanium is CCNCC.C[N+](CO)(CO)CO.
What is the InChIKey of N-ethylethanamine;tris(hydroxymethyl)-methylazanium?
The InChIKey is JWUAEAIKHKIZGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H12NO3.C4H11N/c1-5(2-6,3-7)4-8;1-3-5-4-2/h6-8H,2-4H2,1H3;5H,3-4H2,1-2H3/q+1;.
What are the key properties of N-ethylethanamine;tris(hydroxymethyl)-methylazanium?
N-ethylethanamine;tris(hydroxymethyl)-methylazanium has a molecular weight of 195.28 g/mol, XLogP of -1.10, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethylethanamine;tris(hydroxymethyl)-methylazanium is sourced from PubChem (CID 172747239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).