2-[methyl(prop-1-en-2-yl)amino]ethanol;hydrate

C6H15NO2 — CID 143127607

IUPAC2-[methyl(prop-1-en-2-yl)amino]ethanol;hydrate
SMILESC=C(C)N(C)CCO.O
InChIInChI=1S/C6H13NO.H2O/c1-6(2)7(3)4-5-8;/h8H,1,4-5H2,2-3H3;1H2
InChIKeyOLPPGGHRBJAKSB-UHFFFAOYSA-N
MW133.19 g/mol
LogP-0.38
Rot. Bonds3

About 2-[methyl(prop-1-en-2-yl)amino]ethanol;hydrate

2-[methyl(prop-1-en-2-yl)amino]ethanol;hydrate (PubChem CID 143127607) has the molecular formula C6H15NO2 and a molecular weight of 133.19 g/mol. Its IUPAC name is 2-[methyl(prop-1-en-2-yl)amino]ethanol;hydrate.

Molecular Properties

Compound Name2-[methyl(prop-1-en-2-yl)amino]ethanol;hydrate
PubChem CID143127607
Molecular FormulaC6H15NO2
Molecular Weight133.19 g/mol
Exact Mass133.11
IUPAC Name2-[methyl(prop-1-en-2-yl)amino]ethanol;hydrate
SMILESC=C(C)N(C)CCO.O
InChIInChI=1S/C6H13NO.H2O/c1-6(2)7(3)4-5-8;/h8H,1,4-5H2,2-3H3;1H2
InChIKeyOLPPGGHRBJAKSB-UHFFFAOYSA-N
XLogP-0.38
TPSA54.97 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.19
LogP ≤ 5-0.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-Hydroxyethyl(prop-1-en-2-yl)amino]ethanol
CID 45088074
2-[But-1-en-2-yl(methyl)amino]ethanol
CID 58166114
2-(Dimethylamino)prop-2-en-1-ol
CID 59926244
2-[Buta-1,3-dien-2-yl(methyl)amino]ethanol
CID 89245946
2-[Ethyl(prop-1-en-2-yl)amino]ethanol
CID 118426590
1-[Prop-1-en-2-yl(propyl)amino]ethanol
CID 123217766
2-[Methyl(prop-1-en-2-yl)amino]ethanol
CID 123488296
2-[[(E)-but-2-en-2-yl]-methylamino]ethanol
CID 130193982
2-(2-ethyl-4-methyl-2H-1,3-oxazol-3-yl)ethanol
CID 141086681
2-(2,2,4-Trimethyl-1,3-oxazol-3-yl)ethanol
CID 141086684
1-[Methyl(prop-1-en-2-yl)amino]propan-1-ol
CID 143693701
2-(Diethylamino)prop-2-en-1-ol
CID 144460474

Frequently Asked Questions

What is the IUPAC name of 2-[methyl(prop-1-en-2-yl)amino]ethanol;hydrate?
The IUPAC name of 2-[methyl(prop-1-en-2-yl)amino]ethanol;hydrate (CID 143127607) is 2-[methyl(prop-1-en-2-yl)amino]ethanol;hydrate.
What is the SMILES notation for 2-[methyl(prop-1-en-2-yl)amino]ethanol;hydrate?
The canonical SMILES for 2-[methyl(prop-1-en-2-yl)amino]ethanol;hydrate is C=C(C)N(C)CCO.O.
What is the InChIKey of 2-[methyl(prop-1-en-2-yl)amino]ethanol;hydrate?
The InChIKey is OLPPGGHRBJAKSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO.H2O/c1-6(2)7(3)4-5-8;/h8H,1,4-5H2,2-3H3;1H2.
What are the key properties of 2-[methyl(prop-1-en-2-yl)amino]ethanol;hydrate?
2-[methyl(prop-1-en-2-yl)amino]ethanol;hydrate has a molecular weight of 133.19 g/mol, XLogP of -0.38, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl(prop-1-en-2-yl)amino]ethanol;hydrate is sourced from PubChem (CID 143127607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).