ethanol;methanamine;hydrate

C7H25NO4 — CID 173355731

IUPACethanol;methanamine;hydrate
SMILESCCO.CCO.CCO.CN.O
InChIInChI=1S/3C2H6O.CH5N.H2O/c3*1-2-3;1-2;/h3*3H,2H2,1H3;2H2,1H3;1H2
InChIKeyUGDNMBNWJCAQRS-UHFFFAOYSA-N
MW187.28 g/mol
LogP-1.25
Rot. Bonds

About ethanol;methanamine;hydrate

ethanol;methanamine;hydrate (PubChem CID 173355731) has the molecular formula C7H25NO4 and a molecular weight of 187.28 g/mol. Its IUPAC name is ethanol;methanamine;hydrate.

Molecular Properties

Compound Nameethanol;methanamine;hydrate
PubChem CID173355731
Molecular FormulaC7H25NO4
Molecular Weight187.28 g/mol
Exact Mass187.18
IUPAC Nameethanol;methanamine;hydrate
SMILESCCO.CCO.CCO.CN.O
InChIInChI=1S/3C2H6O.CH5N.H2O/c3*1-2-3;1-2;/h3*3H,2H2,1H3;2H2,1H3;1H2
InChIKeyUGDNMBNWJCAQRS-UHFFFAOYSA-N
XLogP-1.25
TPSA118.21 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.28
LogP ≤ 5-1.25
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze ethanol;methanamine;hydrate with MolForge

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

Launch Full Analysis

Related Compounds

ethanol;methanamine
CID 174381315
ethanol;methanamine;hydrobromide
CID 175198419
ethanol;heptahydrate
CID 57434370
ethanol;phosphane;hydrate
CID 175112469
ethanol;iron;tetrahydrate;hydrochloride
CID 175371303
aluminum;ethanol;trichloride;hydrate
CID 174484956
ethanol;methane;titanium;tetrahydrate
CID 165044950
ethanol;palladium
CID 87368677
ethanol iodide
CID 22987629
ethanol;methanol
CID 157119827
ethanol;tin(2+)
CID 162004830
ethanol;hydron
CID 174459614

Frequently Asked Questions

What is the IUPAC name of ethanol;methanamine;hydrate?
The IUPAC name of ethanol;methanamine;hydrate (CID 173355731) is ethanol;methanamine;hydrate.
What is the SMILES notation for ethanol;methanamine;hydrate?
The canonical SMILES for ethanol;methanamine;hydrate is CCO.CCO.CCO.CN.O.
What is the InChIKey of ethanol;methanamine;hydrate?
The InChIKey is UGDNMBNWJCAQRS-UHFFFAOYSA-N. The full InChI is InChI=1S/3C2H6O.CH5N.H2O/c3*1-2-3;1-2;/h3*3H,2H2,1H3;2H2,1H3;1H2.
What are the key properties of ethanol;methanamine;hydrate?
ethanol;methanamine;hydrate has a molecular weight of 187.28 g/mol, XLogP of -1.25, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethanol;methanamine;hydrate is sourced from PubChem (CID 173355731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).