2-[2-(3-methylbut-2-enylamino)ethoxy]ethanol

C9H19NO2 — CID 103605071

IUPAC2-[2-(3-methylbut-2-enylamino)ethoxy]ethanol
SMILESCC(C)=CCNCCOCCO
InChIInChI=1S/C9H19NO2/c1-9(2)3-4-10-5-7-12-8-6-11/h3,10-11H,4-8H2,1-2H3
InChIKeyDQNCPDFWBURIIC-UHFFFAOYSA-N
MW173.26 g/mol
LogP0.55
Rot. Bonds7

About 2-[2-(3-methylbut-2-enylamino)ethoxy]ethanol

2-[2-(3-methylbut-2-enylamino)ethoxy]ethanol (PubChem CID 103605071) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is 2-[2-(3-methylbut-2-enylamino)ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-(3-methylbut-2-enylamino)ethoxy]ethanol
PubChem CID103605071
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC Name2-[2-(3-methylbut-2-enylamino)ethoxy]ethanol
SMILESCC(C)=CCNCCOCCO
InChIInChI=1S/C9H19NO2/c1-9(2)3-4-10-5-7-12-8-6-11/h3,10-11H,4-8H2,1-2H3
InChIKeyDQNCPDFWBURIIC-UHFFFAOYSA-N
XLogP0.55
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 50.55
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

N-(2-ethoxyethyl)-3-methylbut-2-en-1-amine
CID 60061035
2-[2-(2-Hydroxyethoxy)ethoxy]ethanol;2-(2-hydroxyethylamino)ethanol;prop-1-ene
CID 88669907
(E)-4-(2-ethoxyethylamino)-2-methylbut-2-en-1-ol
CID 89977933
(Z)-4-(2-ethoxyethylamino)-2-methylbut-2-en-1-ol
CID 89978099
Bis(2-ethoxy-1-hydroxyethyl)-prop-2-enylazanium;polane;chloride
CID 173005041
1-(Prop-2-enylamino)-2-propoxyethanol;hydrochloride
CID 175260697
Ethane;2-methyl-1-[2-methyl-2-(prop-2-enylamino)propoxy]propan-2-ol
CID 177239930
2-[2-[4-[(E)-2-methylbut-2-enyl]piperazine-1,4-diium-1-yl]ethoxy]ethanol
CID 2059214
2-[2-[4-[(Z)-2-methylbut-2-enyl]piperazine-1,4-diium-1-yl]ethoxy]ethanol
CID 2059216
2-[2-[[(E)-but-2-enyl]amino]ethoxy]ethanol
CID 33756815
2-[2-(Prop-2-enylamino)ethoxy]ethanol
CID 60689212
2-[2-(2-Methylprop-2-enylamino)ethoxy]ethanol
CID 60689343

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-methylbut-2-enylamino)ethoxy]ethanol?
The IUPAC name of 2-[2-(3-methylbut-2-enylamino)ethoxy]ethanol (CID 103605071) is 2-[2-(3-methylbut-2-enylamino)ethoxy]ethanol.
What is the SMILES notation for 2-[2-(3-methylbut-2-enylamino)ethoxy]ethanol?
The canonical SMILES for 2-[2-(3-methylbut-2-enylamino)ethoxy]ethanol is CC(C)=CCNCCOCCO.
What is the InChIKey of 2-[2-(3-methylbut-2-enylamino)ethoxy]ethanol?
The InChIKey is DQNCPDFWBURIIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2/c1-9(2)3-4-10-5-7-12-8-6-11/h3,10-11H,4-8H2,1-2H3.
What are the key properties of 2-[2-(3-methylbut-2-enylamino)ethoxy]ethanol?
2-[2-(3-methylbut-2-enylamino)ethoxy]ethanol has a molecular weight of 173.26 g/mol, XLogP of 0.55, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-methylbut-2-enylamino)ethoxy]ethanol is sourced from PubChem (CID 103605071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).