2-[ethyl(methyl)amino]ethanol;hydrate

C5H15NO2 — CID 174397905

IUPAC2-[ethyl(methyl)amino]ethanol;hydrate
SMILESCCN(C)CCO.O
InChIInChI=1S/C5H13NO.H2O/c1-3-6(2)4-5-7;/h7H,3-5H2,1-2H3;1H2
InChIKeyHSRUGYMGVZZTRV-UHFFFAOYSA-N
MW121.18 g/mol
LogP-0.89
Rot. Bonds3

About 2-[ethyl(methyl)amino]ethanol;hydrate

2-[ethyl(methyl)amino]ethanol;hydrate (PubChem CID 174397905) has the molecular formula C5H15NO2 and a molecular weight of 121.18 g/mol. Its IUPAC name is 2-[ethyl(methyl)amino]ethanol;hydrate.

Molecular Properties

Compound Name2-[ethyl(methyl)amino]ethanol;hydrate
PubChem CID174397905
Molecular FormulaC5H15NO2
Molecular Weight121.18 g/mol
Exact Mass121.11
IUPAC Name2-[ethyl(methyl)amino]ethanol;hydrate
SMILESCCN(C)CCO.O
InChIInChI=1S/C5H13NO.H2O/c1-3-6(2)4-5-7;/h7H,3-5H2,1-2H3;1H2
InChIKeyHSRUGYMGVZZTRV-UHFFFAOYSA-N
XLogP-0.89
TPSA54.97 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.18
LogP ≤ 5-0.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-hydroxyethyl(methyl)amino]ethanol;propane
CID 142839761
ethane;2-[2-hydroxyethyl(methyl)amino]ethanol
CID 169191994
CID 59270461
CID 59270461
acetic acid;2-[2-hydroxyethyl(methyl)amino]ethanol
CID 160580460
hydron;2-[2-hydroxyethyl(methyl)amino]ethanol;tetrafluoroborate
CID 174603655
2-[2-[2-hydroxyethyl-[2-[2-hydroxyethyl(methyl)amino]ethyl]amino]ethyl-methylamino]ethanol
CID 139832314
2-(diethylamino)ethanol;N,N-dimethylethanamine
CID 158783617
(3R)-3-ethyl-6-[ethyl(methyl)amino]hexan-1-ol
CID 118890243
1,4-dimethylpiperazine;ethane;2-[ethyl(methyl)amino]ethanol;1-methylpyrrolidin-3-ol
CID 142949316
2-[methyl(undecyl)amino]ethanol;hydrochloride
CID 174969696
2-[heptadecyl(methyl)amino]ethanol;hydrochloride
CID 175607509
2-[methyl-[(Z)-pent-2-enyl]amino]ethanol
CID 90058860

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(methyl)amino]ethanol;hydrate?
The IUPAC name of 2-[ethyl(methyl)amino]ethanol;hydrate (CID 174397905) is 2-[ethyl(methyl)amino]ethanol;hydrate.
What is the SMILES notation for 2-[ethyl(methyl)amino]ethanol;hydrate?
The canonical SMILES for 2-[ethyl(methyl)amino]ethanol;hydrate is CCN(C)CCO.O.
What is the InChIKey of 2-[ethyl(methyl)amino]ethanol;hydrate?
The InChIKey is HSRUGYMGVZZTRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13NO.H2O/c1-3-6(2)4-5-7;/h7H,3-5H2,1-2H3;1H2.
What are the key properties of 2-[ethyl(methyl)amino]ethanol;hydrate?
2-[ethyl(methyl)amino]ethanol;hydrate has a molecular weight of 121.18 g/mol, XLogP of -0.89, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(methyl)amino]ethanol;hydrate is sourced from PubChem (CID 174397905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).