2-(2-prop-2-enoxyethylamino)ethanol

C7H15NO2 — CID 87166658

IUPAC2-(2-prop-2-enoxyethylamino)ethanol
SMILESC=CCOCCNCCO
InChIInChI=1S/C7H15NO2/c1-2-6-10-7-4-8-3-5-9/h2,8-9H,1,3-7H2
InChIKeyNEXHFNNRJLILJC-UHFFFAOYSA-N
MW145.20 g/mol
LogP-0.23
Rot. Bonds7

About 2-(2-prop-2-enoxyethylamino)ethanol

2-(2-prop-2-enoxyethylamino)ethanol (PubChem CID 87166658) has the molecular formula C7H15NO2 and a molecular weight of 145.20 g/mol. Its IUPAC name is 2-(2-prop-2-enoxyethylamino)ethanol.

Molecular Properties

Compound Name2-(2-prop-2-enoxyethylamino)ethanol
PubChem CID87166658
Molecular FormulaC7H15NO2
Molecular Weight145.20 g/mol
Exact Mass145.11
IUPAC Name2-(2-prop-2-enoxyethylamino)ethanol
SMILESC=CCOCCNCCO
InChIInChI=1S/C7H15NO2/c1-2-6-10-7-4-8-3-5-9/h2,8-9H,1,3-7H2
InChIKeyNEXHFNNRJLILJC-UHFFFAOYSA-N
XLogP-0.23
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.20
LogP ≤ 5-0.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

Methyl[2-(prop-2-en-1-yloxy)ethyl]amine
CID 58684300
N-(2-fluoroethyl)-2-prop-2-enoxyethanamine
CID 130501726
N-(2-prop-2-enoxyethyl)prop-2-en-1-amine
CID 13927842
(9Z)-1,7-dioxa-4-azacycloundec-9-ene
CID 22899052
(9Z)-1,7-dioxa-4-azoniacycloundec-9-ene
CID 22899053
Bis-(2-allyloxy-ethyl)-amine
CID 22899057
1,7-Dioxa-4-azacycloundec-9-ene
CID 53730540
Bis(2-prop-2-enoxyethyl)azanium
CID 57895943
N-ethyl-2-prop-2-enoxyethanamine
CID 62336850
Prop-2-enyl 2-(2-hydroxyethylamino)acetate
CID 87065185
Bis(2-prop-2-enoxyethyl)azanium;3-ethoxyprop-1-ene
CID 91132974
2-(2-Methoxyethylamino)ethanol;prop-1-ene
CID 143885114

Frequently Asked Questions

What is the IUPAC name of 2-(2-prop-2-enoxyethylamino)ethanol?
The IUPAC name of 2-(2-prop-2-enoxyethylamino)ethanol (CID 87166658) is 2-(2-prop-2-enoxyethylamino)ethanol.
What is the SMILES notation for 2-(2-prop-2-enoxyethylamino)ethanol?
The canonical SMILES for 2-(2-prop-2-enoxyethylamino)ethanol is C=CCOCCNCCO.
What is the InChIKey of 2-(2-prop-2-enoxyethylamino)ethanol?
The InChIKey is NEXHFNNRJLILJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2/c1-2-6-10-7-4-8-3-5-9/h2,8-9H,1,3-7H2.
What are the key properties of 2-(2-prop-2-enoxyethylamino)ethanol?
2-(2-prop-2-enoxyethylamino)ethanol has a molecular weight of 145.20 g/mol, XLogP of -0.23, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-prop-2-enoxyethylamino)ethanol is sourced from PubChem (CID 87166658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).