formic acid;2-hydroxyethyl-methyl-dipropylazanium

C10H24NO3+ — CID 88813564

IUPACformic acid;2-hydroxyethyl-methyl-dipropylazanium
SMILESCCC[N+](C)(CCC)CCO.O=CO
InChIInChI=1S/C9H22NO.CH2O2/c1-4-6-10(3,7-5-2)8-9-11;2-1-3/h11H,4-9H2,1-3H3;1H,(H,2,3)/q+1;
InChIKeyYJEDQNXYIPGEOC-UHFFFAOYSA-N
MW206.31 g/mol
LogP0.95
Rot. Bonds6

About formic acid;2-hydroxyethyl-methyl-dipropylazanium

formic acid;2-hydroxyethyl-methyl-dipropylazanium (PubChem CID 88813564) has the molecular formula C10H24NO3+ and a molecular weight of 206.31 g/mol. Its IUPAC name is formic acid;2-hydroxyethyl-methyl-dipropylazanium.

Molecular Properties

Compound Nameformic acid;2-hydroxyethyl-methyl-dipropylazanium
PubChem CID88813564
Molecular FormulaC10H24NO3+
Molecular Weight206.31 g/mol
Exact Mass206.18
IUPAC Nameformic acid;2-hydroxyethyl-methyl-dipropylazanium
SMILESCCC[N+](C)(CCC)CCO.O=CO
InChIInChI=1S/C9H22NO.CH2O2/c1-4-6-10(3,7-5-2)8-9-11;2-1-3/h11H,4-9H2,1-3H3;1H,(H,2,3)/q+1;
InChIKeyYJEDQNXYIPGEOC-UHFFFAOYSA-N
XLogP0.95
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.31
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

bis(2-hydroxyethyl)-[2-(2-hydroxyethyl-methyl-propylazaniumyl)ethyl]-methylazanium
CID 159063844
2-hydroxyethyl-methyl-propyl-prop-2-ynylazanium
CID 134553320
formic acid;propan-1-ol
CID 87192907
bis(hydroxymethyl)-methyl-propylazanium
CID 174797538
2-[dimethyl(propyl)azaniumyl]ethyl-(2-hydroxyethyl)-dimethylazanium
CID 22833505
hexyl-(2-hydroxyethyl)-methyl-pentylazanium
CID 139954665
bis(2-formyloxyethyl)-(2-hydroxyethyl)-methylazanium
CID 59861691
tris(2-hydroxyethyl)-methylazanium tetrafluoroborate
CID 18442246
bis(2-hydroxyethyl)-methyl-octadecylazanium hydroxide
CID 139772674
2-hydroxyethyl-methyl-dioctadecylazanium bromide
CID 14068061
2-hydroxyethyl-methyl-bis[2-(prop-2-enylamino)ethyl]azanium;sulfuric acid
CID 87689717
bis(2-hydroxyethyl-methyl-dioctadecylazanium);sulfate
CID 175018005

Frequently Asked Questions

What is the IUPAC name of formic acid;2-hydroxyethyl-methyl-dipropylazanium?
The IUPAC name of formic acid;2-hydroxyethyl-methyl-dipropylazanium (CID 88813564) is formic acid;2-hydroxyethyl-methyl-dipropylazanium.
What is the SMILES notation for formic acid;2-hydroxyethyl-methyl-dipropylazanium?
The canonical SMILES for formic acid;2-hydroxyethyl-methyl-dipropylazanium is CCC[N+](C)(CCC)CCO.O=CO.
What is the InChIKey of formic acid;2-hydroxyethyl-methyl-dipropylazanium?
The InChIKey is YJEDQNXYIPGEOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H22NO.CH2O2/c1-4-6-10(3,7-5-2)8-9-11;2-1-3/h11H,4-9H2,1-3H3;1H,(H,2,3)/q+1;.
What are the key properties of formic acid;2-hydroxyethyl-methyl-dipropylazanium?
formic acid;2-hydroxyethyl-methyl-dipropylazanium has a molecular weight of 206.31 g/mol, XLogP of 0.95, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;2-hydroxyethyl-methyl-dipropylazanium is sourced from PubChem (CID 88813564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).