2-[2-amino-2-(2-hydroxyethoxy)pent-4-enoxy]ethanol

C9H19NO4 — CID 174830450

IUPAC2-[2-amino-2-(2-hydroxyethoxy)pent-4-enoxy]ethanol
SMILESC=CCC(N)(COCCO)OCCO
InChIInChI=1S/C9H19NO4/c1-2-3-9(10,14-7-5-12)8-13-6-4-11/h2,11-12H,1,3-8,10H2
InChIKeyGJKHZYURCYXCFW-UHFFFAOYSA-N
MW205.25 g/mol
LogP-0.76
Rot. Bonds9

About 2-[2-amino-2-(2-hydroxyethoxy)pent-4-enoxy]ethanol

2-[2-amino-2-(2-hydroxyethoxy)pent-4-enoxy]ethanol (PubChem CID 174830450) has the molecular formula C9H19NO4 and a molecular weight of 205.25 g/mol. Its IUPAC name is 2-[2-amino-2-(2-hydroxyethoxy)pent-4-enoxy]ethanol.

Molecular Properties

Compound Name2-[2-amino-2-(2-hydroxyethoxy)pent-4-enoxy]ethanol
PubChem CID174830450
Molecular FormulaC9H19NO4
Molecular Weight205.25 g/mol
Exact Mass205.13
IUPAC Name2-[2-amino-2-(2-hydroxyethoxy)pent-4-enoxy]ethanol
SMILESC=CCC(N)(COCCO)OCCO
InChIInChI=1S/C9H19NO4/c1-2-3-9(10,14-7-5-12)8-13-6-4-11/h2,11-12H,1,3-8,10H2
InChIKeyGJKHZYURCYXCFW-UHFFFAOYSA-N
XLogP-0.76
TPSA84.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.25
LogP ≤ 5-0.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-(2-hydroxyethoxymethyl)hepta-1,6-dien-4-ol
CID 22034395
2-[2-amino-2,2-bis(2-hydroxyethoxy)ethoxy]ethanol
CID 88658025
2-[2-[2-[2-[2-[2-[2-(2-prop-2-enoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 14619770
2-[2-[2-[2-[2-[2-(2-prop-2-enoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 14619769
3-ethenoxyprop-1-ene;2-(2-hydroxyethoxy)ethanol
CID 86746415
bis(prop-2-enyl) carbonate;2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol
CID 22918048
2-methyl-4-(2-methylpent-4-en-2-yloxy)butan-2-amine
CID 89277490
2-[2-(2-methoxy-2-methylpropoxy)ethoxy]ethanol
CID 174420073
2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 17472
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 14619695
CID 159345993
CID 159345993
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 14619703

Frequently Asked Questions

What is the IUPAC name of 2-[2-amino-2-(2-hydroxyethoxy)pent-4-enoxy]ethanol?
The IUPAC name of 2-[2-amino-2-(2-hydroxyethoxy)pent-4-enoxy]ethanol (CID 174830450) is 2-[2-amino-2-(2-hydroxyethoxy)pent-4-enoxy]ethanol.
What is the SMILES notation for 2-[2-amino-2-(2-hydroxyethoxy)pent-4-enoxy]ethanol?
The canonical SMILES for 2-[2-amino-2-(2-hydroxyethoxy)pent-4-enoxy]ethanol is C=CCC(N)(COCCO)OCCO.
What is the InChIKey of 2-[2-amino-2-(2-hydroxyethoxy)pent-4-enoxy]ethanol?
The InChIKey is GJKHZYURCYXCFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO4/c1-2-3-9(10,14-7-5-12)8-13-6-4-11/h2,11-12H,1,3-8,10H2.
What are the key properties of 2-[2-amino-2-(2-hydroxyethoxy)pent-4-enoxy]ethanol?
2-[2-amino-2-(2-hydroxyethoxy)pent-4-enoxy]ethanol has a molecular weight of 205.25 g/mol, XLogP of -0.76, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-amino-2-(2-hydroxyethoxy)pent-4-enoxy]ethanol is sourced from PubChem (CID 174830450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).