Ethanaminium, 2-amino-N-(2-aminoethyl)-N-(2-hydroxyethyl)-N-methyl-, N,N'-bis(hydrogenated tallow acyl) derivs., chlorides

C10H10N2O2 — CID 24229498

IUPAC[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]methanol
SMILESCC1=NOC(=N1)C2=CC=CC(=C2)CO
InChIInChI=1S/C10H10N2O2/c1-7-11-10(14-12-7)9-4-2-3-8(5-9)6-13/h2-5,13H,6H2,1H3
InChIKeyZBIYTANHMLGZFB-UHFFFAOYSA-N
MW190.20 g/mol
LogP1.30
Rot. Bonds2

About Ethanaminium, 2-amino-N-(2-aminoethyl)-N-(2-hydroxyethyl)-N-methyl-, N,N'-bis(hydrogenated tallow acyl) derivs., chlorides

Ethanaminium, 2-amino-N-(2-aminoethyl)-N-(2-hydroxyethyl)-N-methyl-, N,N'-bis(hydrogenated tallow acyl) derivs., chlorides (PubChem CID 24229498) has the molecular formula C10H10N2O2 and a molecular weight of 190.20 g/mol. Its IUPAC name is [3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]methanol.

Molecular Properties

Compound NameEthanaminium, 2-amino-N-(2-aminoethyl)-N-(2-hydroxyethyl)-N-methyl-, N,N'-bis(hydrogenated tallow acyl) derivs., chlorides
PubChem CID24229498
Molecular FormulaC10H10N2O2
Molecular Weight190.20 g/mol
Exact Mass190.07
IUPAC Name[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]methanol
SMILESCC1=NOC(=N1)C2=CC=CC(=C2)CO
InChIInChI=1S/C10H10N2O2/c1-7-11-10(14-12-7)9-4-2-3-8(5-9)6-13/h2-5,13H,6H2,1H3
InChIKeyZBIYTANHMLGZFB-UHFFFAOYSA-N
XLogP1.30
TPSA59.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity189

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of Ethanaminium, 2-amino-N-(2-aminoethyl)-N-(2-hydroxyethyl)-N-methyl-, N,N'-bis(hydrogenated tallow acyl) derivs., chlorides?
The IUPAC name of Ethanaminium, 2-amino-N-(2-aminoethyl)-N-(2-hydroxyethyl)-N-methyl-, N,N'-bis(hydrogenated tallow acyl) derivs., chlorides (CID 24229498) is [3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]methanol.
What is the SMILES notation for Ethanaminium, 2-amino-N-(2-aminoethyl)-N-(2-hydroxyethyl)-N-methyl-, N,N'-bis(hydrogenated tallow acyl) derivs., chlorides?
The canonical SMILES for Ethanaminium, 2-amino-N-(2-aminoethyl)-N-(2-hydroxyethyl)-N-methyl-, N,N'-bis(hydrogenated tallow acyl) derivs., chlorides is CC1=NOC(=N1)C2=CC=CC(=C2)CO.
What is the InChIKey of Ethanaminium, 2-amino-N-(2-aminoethyl)-N-(2-hydroxyethyl)-N-methyl-, N,N'-bis(hydrogenated tallow acyl) derivs., chlorides?
The InChIKey is ZBIYTANHMLGZFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2/c1-7-11-10(14-12-7)9-4-2-3-8(5-9)6-13/h2-5,13H,6H2,1H3.
What are the key properties of Ethanaminium, 2-amino-N-(2-aminoethyl)-N-(2-hydroxyethyl)-N-methyl-, N,N'-bis(hydrogenated tallow acyl) derivs., chlorides?
Ethanaminium, 2-amino-N-(2-aminoethyl)-N-(2-hydroxyethyl)-N-methyl-, N,N'-bis(hydrogenated tallow acyl) derivs., chlorides has a molecular weight of 190.20 g/mol, XLogP of 1.30, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for Ethanaminium, 2-amino-N-(2-aminoethyl)-N-(2-hydroxyethyl)-N-methyl-, N,N'-bis(hydrogenated tallow acyl) derivs., chlorides is sourced from PubChem (CID 24229498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).