ethylazanium;methanol;hydroxide

C3H13NO2 — CID 160842790

IUPACethylazanium;methanol;hydroxide
SMILESCC[NH3+].CO.[OH-]
InChIInChI=1S/C2H7N.CH4O.H2O/c1-2-3;1-2;/h2-3H2,1H3;2H,1H3;1H2
InChIKeySIGDMYPOPNFULR-UHFFFAOYSA-N
MW95.14 g/mol
LogP-1.32
Rot. Bonds

About ethylazanium;methanol;hydroxide

ethylazanium;methanol;hydroxide (PubChem CID 160842790) has the molecular formula C3H13NO2 and a molecular weight of 95.14 g/mol. Its IUPAC name is ethylazanium;methanol;hydroxide.

Molecular Properties

Compound Nameethylazanium;methanol;hydroxide
PubChem CID160842790
Molecular FormulaC3H13NO2
Molecular Weight95.14 g/mol
Exact Mass95.09
IUPAC Nameethylazanium;methanol;hydroxide
SMILESCC[NH3+].CO.[OH-]
InChIInChI=1S/C2H7N.CH4O.H2O/c1-2-3;1-2;/h2-3H2,1H3;2H,1H3;1H2
InChIKeySIGDMYPOPNFULR-UHFFFAOYSA-N
XLogP-1.32
TPSA77.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50095.14
LogP ≤ 5-1.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethylazanium;methanol;hydroxide?
The IUPAC name of ethylazanium;methanol;hydroxide (CID 160842790) is ethylazanium;methanol;hydroxide.
What is the SMILES notation for ethylazanium;methanol;hydroxide?
The canonical SMILES for ethylazanium;methanol;hydroxide is CC[NH3+].CO.[OH-].
What is the InChIKey of ethylazanium;methanol;hydroxide?
The InChIKey is SIGDMYPOPNFULR-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H7N.CH4O.H2O/c1-2-3;1-2;/h2-3H2,1H3;2H,1H3;1H2.
What are the key properties of ethylazanium;methanol;hydroxide?
ethylazanium;methanol;hydroxide has a molecular weight of 95.14 g/mol, XLogP of -1.32, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethylazanium;methanol;hydroxide is sourced from PubChem (CID 160842790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).