triethyl(3-hydroxypropyl)azanium;carbamate;hydroiodide

C10H25IN2O3 — CID 21150177

IUPACtriethyl(3-hydroxypropyl)azanium;carbamate;hydroiodide
SMILESCC[N+](CC)(CC)CCCO.I.NC(=O)[O-]
InChIInChI=1S/C9H22NO.CH3NO2.HI/c1-4-10(5-2,6-3)8-7-9-11;2-1(3)4;/h11H,4-9H2,1-3H3;2H2,(H,3,4);1H/q+1;;/p-1
InChIKeyYZFVINOJVKHTHN-UHFFFAOYSA-M
MW348.23 g/mol
LogP0.15
Rot. Bonds6

About triethyl(3-hydroxypropyl)azanium;carbamate;hydroiodide

triethyl(3-hydroxypropyl)azanium;carbamate;hydroiodide (PubChem CID 21150177) has the molecular formula C10H25IN2O3 and a molecular weight of 348.23 g/mol. Its IUPAC name is triethyl(3-hydroxypropyl)azanium;carbamate;hydroiodide.

Molecular Properties

Compound Nametriethyl(3-hydroxypropyl)azanium;carbamate;hydroiodide
PubChem CID21150177
Molecular FormulaC10H25IN2O3
Molecular Weight348.23 g/mol
Exact Mass348.09
IUPAC Nametriethyl(3-hydroxypropyl)azanium;carbamate;hydroiodide
SMILESCC[N+](CC)(CC)CCCO.I.NC(=O)[O-]
InChIInChI=1S/C9H22NO.CH3NO2.HI/c1-4-10(5-2,6-3)8-7-9-11;2-1(3)4;/h11H,4-9H2,1-3H3;2H2,(H,3,4);1H/q+1;;/p-1
InChIKeyYZFVINOJVKHTHN-UHFFFAOYSA-M
XLogP0.15
TPSA86.38 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.23
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze triethyl(3-hydroxypropyl)azanium;carbamate;hydroiodide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of triethyl(3-hydroxypropyl)azanium;carbamate;hydroiodide?
The IUPAC name of triethyl(3-hydroxypropyl)azanium;carbamate;hydroiodide (CID 21150177) is triethyl(3-hydroxypropyl)azanium;carbamate;hydroiodide.
What is the SMILES notation for triethyl(3-hydroxypropyl)azanium;carbamate;hydroiodide?
The canonical SMILES for triethyl(3-hydroxypropyl)azanium;carbamate;hydroiodide is CC[N+](CC)(CC)CCCO.I.NC(=O)[O-].
What is the InChIKey of triethyl(3-hydroxypropyl)azanium;carbamate;hydroiodide?
The InChIKey is YZFVINOJVKHTHN-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H22NO.CH3NO2.HI/c1-4-10(5-2,6-3)8-7-9-11;2-1(3)4;/h11H,4-9H2,1-3H3;2H2,(H,3,4);1H/q+1;;/p-1.
What are the key properties of triethyl(3-hydroxypropyl)azanium;carbamate;hydroiodide?
triethyl(3-hydroxypropyl)azanium;carbamate;hydroiodide has a molecular weight of 348.23 g/mol, XLogP of 0.15, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl(3-hydroxypropyl)azanium;carbamate;hydroiodide is sourced from PubChem (CID 21150177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).