2-aminoethanol;N,N-dimethylmethanamine;dihydrate

C5H20N2O3 — CID 174282779

IUPAC2-aminoethanol;N,N-dimethylmethanamine;dihydrate
SMILESCN(C)C.NCCO.O.O
InChIInChI=1S/C3H9N.C2H7NO.2H2O/c1-4(2)3;3-1-2-4;;/h1-3H3;4H,1-3H2;2*1H2
InChIKeyYNYNWYITBQVUSQ-UHFFFAOYSA-N
MW156.23 g/mol
LogP-2.53
Rot. Bonds1

About 2-aminoethanol;N,N-dimethylmethanamine;dihydrate

2-aminoethanol;N,N-dimethylmethanamine;dihydrate (PubChem CID 174282779) has the molecular formula C5H20N2O3 and a molecular weight of 156.23 g/mol. Its IUPAC name is 2-aminoethanol;N,N-dimethylmethanamine;dihydrate.

Molecular Properties

Compound Name2-aminoethanol;N,N-dimethylmethanamine;dihydrate
PubChem CID174282779
Molecular FormulaC5H20N2O3
Molecular Weight156.23 g/mol
Exact Mass156.15
IUPAC Name2-aminoethanol;N,N-dimethylmethanamine;dihydrate
SMILESCN(C)C.NCCO.O.O
InChIInChI=1S/C3H9N.C2H7NO.2H2O/c1-4(2)3;3-1-2-4;;/h1-3H3;4H,1-3H2;2*1H2
InChIKeyYNYNWYITBQVUSQ-UHFFFAOYSA-N
XLogP-2.53
TPSA112.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 5-2.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-aminoethanol;N,N-dimethylmethanamine
CID 159503972
2-aminoethanol;N,N-dimethylmethanamine;hydrochloride
CID 174601268
3-aminopropan-1-ol;N,N-dimethylmethanamine;dihydrate
CID 174295610
2-aminoethanol;ethane
CID 90703907
2-aminoethanol;azane;trihydrate
CID 173457849
2-(15N)azanylethanol
CID 10329242
2-aminoethanol
CID 159229127
2-aminoethanol
CID 87375731
2-aminoethanol;N,N-dimethylformamide
CID 88603613
2-amino(113C)ethanol;hydrochloride
CID 13000307
sodium 2-aminoethanol
CID 18941740
CID 162010675
CID 162010675

Frequently Asked Questions

What is the IUPAC name of 2-aminoethanol;N,N-dimethylmethanamine;dihydrate?
The IUPAC name of 2-aminoethanol;N,N-dimethylmethanamine;dihydrate (CID 174282779) is 2-aminoethanol;N,N-dimethylmethanamine;dihydrate.
What is the SMILES notation for 2-aminoethanol;N,N-dimethylmethanamine;dihydrate?
The canonical SMILES for 2-aminoethanol;N,N-dimethylmethanamine;dihydrate is CN(C)C.NCCO.O.O.
What is the InChIKey of 2-aminoethanol;N,N-dimethylmethanamine;dihydrate?
The InChIKey is YNYNWYITBQVUSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H9N.C2H7NO.2H2O/c1-4(2)3;3-1-2-4;;/h1-3H3;4H,1-3H2;2*1H2.
What are the key properties of 2-aminoethanol;N,N-dimethylmethanamine;dihydrate?
2-aminoethanol;N,N-dimethylmethanamine;dihydrate has a molecular weight of 156.23 g/mol, XLogP of -2.53, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoethanol;N,N-dimethylmethanamine;dihydrate is sourced from PubChem (CID 174282779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).