N-ethylethanamine;2-hydroxyethyl(trimethyl)azanium

C9H25N2O+ — CID 87670137

IUPACN-ethylethanamine;2-hydroxyethyl(trimethyl)azanium
SMILESCCNCC.C[N+](C)(C)CCO
InChIInChI=1S/C5H14NO.C4H11N/c1-6(2,3)4-5-7;1-3-5-4-2/h7H,4-5H2,1-3H3;5H,3-4H2,1-2H3/q+1;
InChIKeyIZISVTMNLYQEAX-UHFFFAOYSA-N
MW177.31 g/mol
LogP0.30
Rot. Bonds4

About N-ethylethanamine;2-hydroxyethyl(trimethyl)azanium

N-ethylethanamine;2-hydroxyethyl(trimethyl)azanium (PubChem CID 87670137) has the molecular formula C9H25N2O+ and a molecular weight of 177.31 g/mol. Its IUPAC name is N-ethylethanamine;2-hydroxyethyl(trimethyl)azanium.

Molecular Properties

Compound NameN-ethylethanamine;2-hydroxyethyl(trimethyl)azanium
PubChem CID87670137
Molecular FormulaC9H25N2O+
Molecular Weight177.31 g/mol
Exact Mass177.20
IUPAC NameN-ethylethanamine;2-hydroxyethyl(trimethyl)azanium
SMILESCCNCC.C[N+](C)(C)CCO
InChIInChI=1S/C5H14NO.C4H11N/c1-6(2,3)4-5-7;1-3-5-4-2/h7H,4-5H2,1-3H3;5H,3-4H2,1-2H3/q+1;
InChIKeyIZISVTMNLYQEAX-UHFFFAOYSA-N
XLogP0.30
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.31
LogP ≤ 50.30
H-Bond Donors ≤ 52
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 N-ethylethanamine;2-hydroxyethyl(trimethyl)azanium?
The IUPAC name of N-ethylethanamine;2-hydroxyethyl(trimethyl)azanium (CID 87670137) is N-ethylethanamine;2-hydroxyethyl(trimethyl)azanium.
What is the SMILES notation for N-ethylethanamine;2-hydroxyethyl(trimethyl)azanium?
The canonical SMILES for N-ethylethanamine;2-hydroxyethyl(trimethyl)azanium is CCNCC.C[N+](C)(C)CCO.
What is the InChIKey of N-ethylethanamine;2-hydroxyethyl(trimethyl)azanium?
The InChIKey is IZISVTMNLYQEAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H14NO.C4H11N/c1-6(2,3)4-5-7;1-3-5-4-2/h7H,4-5H2,1-3H3;5H,3-4H2,1-2H3/q+1;.
What are the key properties of N-ethylethanamine;2-hydroxyethyl(trimethyl)azanium?
N-ethylethanamine;2-hydroxyethyl(trimethyl)azanium has a molecular weight of 177.31 g/mol, XLogP of 0.30, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethylethanamine;2-hydroxyethyl(trimethyl)azanium is sourced from PubChem (CID 87670137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).