2-[2-hydroxyethoxy(pent-4-en-2-yl)amino]oxyethanol

C9H19NO4 — CID 174789836

IUPAC2-[2-hydroxyethoxy(pent-4-en-2-yl)amino]oxyethanol
SMILESC=CCC(C)N(OCCO)OCCO
InChIInChI=1S/C9H19NO4/c1-3-4-9(2)10(13-7-5-11)14-8-6-12/h3,9,11-12H,1,4-8H2,2H3
InChIKeyLJTUGTFUOVHDON-UHFFFAOYSA-N
MW205.25 g/mol
LogP0.10
Rot. Bonds9

About 2-[2-hydroxyethoxy(pent-4-en-2-yl)amino]oxyethanol

2-[2-hydroxyethoxy(pent-4-en-2-yl)amino]oxyethanol (PubChem CID 174789836) has the molecular formula C9H19NO4 and a molecular weight of 205.25 g/mol. Its IUPAC name is 2-[2-hydroxyethoxy(pent-4-en-2-yl)amino]oxyethanol.

Molecular Properties

Compound Name2-[2-hydroxyethoxy(pent-4-en-2-yl)amino]oxyethanol
PubChem CID174789836
Molecular FormulaC9H19NO4
Molecular Weight205.25 g/mol
Exact Mass205.13
IUPAC Name2-[2-hydroxyethoxy(pent-4-en-2-yl)amino]oxyethanol
SMILESC=CCC(C)N(OCCO)OCCO
InChIInChI=1S/C9H19NO4/c1-3-4-9(2)10(13-7-5-11)14-8-6-12/h3,9,11-12H,1,4-8H2,2H3
InChIKeyLJTUGTFUOVHDON-UHFFFAOYSA-N
XLogP0.10
TPSA62.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.25
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

ethanol;4-methylpent-1-ene
CID 141289447
2-[2-methoxyethoxy(propan-2-yl)amino]oxyethanol
CID 150143139
2-[2-hydroxyethoxy(prop-2-enyl)amino]oxyethanol;hydrochloride
CID 174430293
3-butoxyhex-5-en-1-ol
CID 90780016
N,N-bis(pent-4-en-2-yl)prop-2-enamide
CID 88606180
2-[ethyl(2-hydroxyethoxy)amino]oxyethanol
CID 18004331
3-(1-hydroxyhex-5-en-3-yloxy)hex-5-en-1-ol
CID 139513174
methyl N-ethyl-N-pent-4-en-2-ylcarbamate
CID 11816123
2-[bis(2-hydroxyethoxy)amino]propanenitrile;sulfuric acid
CID 88674774
N-[1-[bis(2-hydroxyethoxy)amino]propyl]docosanamide
CID 175605896
N-[1-[bis(2-hydroxyethoxy)amino]propyl]octadecanamide
CID 87487925
2-methoxyethanol;propan-2-ol;prop-1-ene
CID 87495214

Frequently Asked Questions

What is the IUPAC name of 2-[2-hydroxyethoxy(pent-4-en-2-yl)amino]oxyethanol?
The IUPAC name of 2-[2-hydroxyethoxy(pent-4-en-2-yl)amino]oxyethanol (CID 174789836) is 2-[2-hydroxyethoxy(pent-4-en-2-yl)amino]oxyethanol.
What is the SMILES notation for 2-[2-hydroxyethoxy(pent-4-en-2-yl)amino]oxyethanol?
The canonical SMILES for 2-[2-hydroxyethoxy(pent-4-en-2-yl)amino]oxyethanol is C=CCC(C)N(OCCO)OCCO.
What is the InChIKey of 2-[2-hydroxyethoxy(pent-4-en-2-yl)amino]oxyethanol?
The InChIKey is LJTUGTFUOVHDON-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO4/c1-3-4-9(2)10(13-7-5-11)14-8-6-12/h3,9,11-12H,1,4-8H2,2H3.
What are the key properties of 2-[2-hydroxyethoxy(pent-4-en-2-yl)amino]oxyethanol?
2-[2-hydroxyethoxy(pent-4-en-2-yl)amino]oxyethanol has a molecular weight of 205.25 g/mol, XLogP of 0.10, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-hydroxyethoxy(pent-4-en-2-yl)amino]oxyethanol is sourced from PubChem (CID 174789836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).