ethanol;N-methylmethanamine;hydrate

C6H21NO3 — CID 173447410

IUPACethanol;N-methylmethanamine;hydrate
SMILESCCO.CCO.CNC.O
InChIInChI=1S/C2H7N.2C2H6O.H2O/c1-3-2;2*1-2-3;/h3H,1-2H3;2*3H,2H2,1H3;1H2
InChIKeyVYFPATZPTOIOGZ-UHFFFAOYSA-N
MW155.24 g/mol
LogP-0.99
Rot. Bonds

About ethanol;N-methylmethanamine;hydrate

ethanol;N-methylmethanamine;hydrate (PubChem CID 173447410) has the molecular formula C6H21NO3 and a molecular weight of 155.24 g/mol. Its IUPAC name is ethanol;N-methylmethanamine;hydrate.

Molecular Properties

Compound Nameethanol;N-methylmethanamine;hydrate
PubChem CID173447410
Molecular FormulaC6H21NO3
Molecular Weight155.24 g/mol
Exact Mass155.15
IUPAC Nameethanol;N-methylmethanamine;hydrate
SMILESCCO.CCO.CNC.O
InChIInChI=1S/C2H7N.2C2H6O.H2O/c1-3-2;2*1-2-3;/h3H,1-2H3;2*3H,2H2,1H3;1H2
InChIKeyVYFPATZPTOIOGZ-UHFFFAOYSA-N
XLogP-0.99
TPSA83.99 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 5-0.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethanol;N-methylmethanamine;hydrate?
The IUPAC name of ethanol;N-methylmethanamine;hydrate (CID 173447410) is ethanol;N-methylmethanamine;hydrate.
What is the SMILES notation for ethanol;N-methylmethanamine;hydrate?
The canonical SMILES for ethanol;N-methylmethanamine;hydrate is CCO.CCO.CNC.O.
What is the InChIKey of ethanol;N-methylmethanamine;hydrate?
The InChIKey is VYFPATZPTOIOGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H7N.2C2H6O.H2O/c1-3-2;2*1-2-3;/h3H,1-2H3;2*3H,2H2,1H3;1H2.
What are the key properties of ethanol;N-methylmethanamine;hydrate?
ethanol;N-methylmethanamine;hydrate has a molecular weight of 155.24 g/mol, XLogP of -0.99, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethanol;N-methylmethanamine;hydrate is sourced from PubChem (CID 173447410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).