3-[bis(2-hydroxyethyl)amino]prop-1-en-1-ol

C7H15NO3 — CID 173452786

IUPAC3-[bis(2-hydroxyethyl)amino]prop-1-en-1-ol
SMILESOC=CCN(CCO)CCO
InChIInChI=1S/C7H15NO3/c9-5-1-2-8(3-6-10)4-7-11/h1,5,9-11H,2-4,6-7H2
InChIKeyVEQZGAWUOUPETI-UHFFFAOYSA-N
MW161.20 g/mol
LogP-0.66
Rot. Bonds6

About 3-[bis(2-hydroxyethyl)amino]prop-1-en-1-ol

3-[bis(2-hydroxyethyl)amino]prop-1-en-1-ol (PubChem CID 173452786) has the molecular formula C7H15NO3 and a molecular weight of 161.20 g/mol. Its IUPAC name is 3-[bis(2-hydroxyethyl)amino]prop-1-en-1-ol.

Molecular Properties

Compound Name3-[bis(2-hydroxyethyl)amino]prop-1-en-1-ol
PubChem CID173452786
Molecular FormulaC7H15NO3
Molecular Weight161.20 g/mol
Exact Mass161.11
IUPAC Name3-[bis(2-hydroxyethyl)amino]prop-1-en-1-ol
SMILESOC=CCN(CCO)CCO
InChIInChI=1S/C7H15NO3/c9-5-1-2-8(3-6-10)4-7-11/h1,5,9-11H,2-4,6-7H2
InChIKeyVEQZGAWUOUPETI-UHFFFAOYSA-N
XLogP-0.66
TPSA63.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.20
LogP ≤ 5-0.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

2-[3-chloroprop-2-enyl(2-hydroxyethyl)amino]ethanol
CID 76932479
3-(diethylamino)prop-1-en-1-ol
CID 173388883
copper 2-[bis(2-hydroxyethyl)amino]ethanol
CID 18952570
2-[bis(2-hydroxyethyl)amino]ethanol;silane
CID 173402011
2-[bis(2-hydroxyethyl)amino]ethanol;cobalt
CID 161104033
2-[bis(2-hydroxyethyl)amino]ethanol;iron(3+)
CID 22634755
2-[bis(2-hydroxyethyl)amino]ethanol;nickel(2+)
CID 159992570
2-[bis(2-hydroxyethyl)amino]ethanol;copper;hydrate
CID 88718210
2-[bis(2-hydroxyethyl)amino]ethanol;titanium(4+);zirconium(4+)
CID 159674696
sodium;2-[bis(2-hydroxyethyl)amino]ethanol;chloride
CID 23700456
3-(dimethylamino)prop-1-en-1-ol
CID 173098720
2-[2-hydroxyethyl(propyl)amino]acetaldehyde
CID 62051333

Frequently Asked Questions

What is the IUPAC name of 3-[bis(2-hydroxyethyl)amino]prop-1-en-1-ol?
The IUPAC name of 3-[bis(2-hydroxyethyl)amino]prop-1-en-1-ol (CID 173452786) is 3-[bis(2-hydroxyethyl)amino]prop-1-en-1-ol.
What is the SMILES notation for 3-[bis(2-hydroxyethyl)amino]prop-1-en-1-ol?
The canonical SMILES for 3-[bis(2-hydroxyethyl)amino]prop-1-en-1-ol is OC=CCN(CCO)CCO.
What is the InChIKey of 3-[bis(2-hydroxyethyl)amino]prop-1-en-1-ol?
The InChIKey is VEQZGAWUOUPETI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO3/c9-5-1-2-8(3-6-10)4-7-11/h1,5,9-11H,2-4,6-7H2.
What are the key properties of 3-[bis(2-hydroxyethyl)amino]prop-1-en-1-ol?
3-[bis(2-hydroxyethyl)amino]prop-1-en-1-ol has a molecular weight of 161.20 g/mol, XLogP of -0.66, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[bis(2-hydroxyethyl)amino]prop-1-en-1-ol is sourced from PubChem (CID 173452786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).