2-[2-hydroxyethyl-[hydroxy(propyl)amino]amino]ethanol

C7H18N2O3 — CID 21107817

IUPAC2-[2-hydroxyethyl-[hydroxy(propyl)amino]amino]ethanol
SMILESCCCN(O)N(CCO)CCO
InChIInChI=1S/C7H18N2O3/c1-2-3-9(12)8(4-6-10)5-7-11/h10-12H,2-7H2,1H3
InChIKeyGGIPJKSFDBWTMY-UHFFFAOYSA-N
MW178.23 g/mol
LogP-0.71
Rot. Bonds7

About 2-[2-hydroxyethyl-[hydroxy(propyl)amino]amino]ethanol

2-[2-hydroxyethyl-[hydroxy(propyl)amino]amino]ethanol (PubChem CID 21107817) has the molecular formula C7H18N2O3 and a molecular weight of 178.23 g/mol. Its IUPAC name is 2-[2-hydroxyethyl-[hydroxy(propyl)amino]amino]ethanol.

Molecular Properties

Compound Name2-[2-hydroxyethyl-[hydroxy(propyl)amino]amino]ethanol
PubChem CID21107817
Molecular FormulaC7H18N2O3
Molecular Weight178.23 g/mol
Exact Mass178.13
IUPAC Name2-[2-hydroxyethyl-[hydroxy(propyl)amino]amino]ethanol
SMILESCCCN(O)N(CCO)CCO
InChIInChI=1S/C7H18N2O3/c1-2-3-9(12)8(4-6-10)5-7-11/h10-12H,2-7H2,1H3
InChIKeyGGIPJKSFDBWTMY-UHFFFAOYSA-N
XLogP-0.71
TPSA67.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 5-0.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[[bis(2-hydroxyethyl)amino]-propylamino]ethanol
CID 118332539
2-[methanidyl(propyl)amino]ethanol
CID 159970489
2-[ethyl(2-hydroxyethyl)amino]ethanol;2-[ethyl(propyl)amino]ethanol
CID 161297591
N,N-dipropylpropan-1-amine;propan-1-ol;hydrochloride
CID 173448711
2-[2-hydroxyethyl(propyl)amino]acetaldehyde
CID 62051333
2-[ethyl(propyl)amino]ethanol;hydrate;dihydrochloride
CID 174894072
2-[bis(2-hydroxyethyl)amino]ethanol;propane
CID 160839946
2-[dipropylsulfamoyl(2-hydroxyethyl)amino]ethanol
CID 61233822
2-[2-chloroethyl(propyl)amino]ethanol
CID 61425253
2-[bis(2-hydroxyethyl)amino]ethanol;2-[2-[bis(2-hydroxyethyl)amino]ethyl-(2-hydroxyethyl)amino]ethanol;2-[2-hydroxyethyl(propyl)amino]-2-(hydroxymethyl)propane-1,3-diol
CID 158594075
2-[butyl(2-hydroxyethyl)amino]ethanol
CID 23103220
2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-propylamino]-2-(hydroxymethyl)propane-1,3-diol
CID 126494722

Frequently Asked Questions

What is the IUPAC name of 2-[2-hydroxyethyl-[hydroxy(propyl)amino]amino]ethanol?
The IUPAC name of 2-[2-hydroxyethyl-[hydroxy(propyl)amino]amino]ethanol (CID 21107817) is 2-[2-hydroxyethyl-[hydroxy(propyl)amino]amino]ethanol.
What is the SMILES notation for 2-[2-hydroxyethyl-[hydroxy(propyl)amino]amino]ethanol?
The canonical SMILES for 2-[2-hydroxyethyl-[hydroxy(propyl)amino]amino]ethanol is CCCN(O)N(CCO)CCO.
What is the InChIKey of 2-[2-hydroxyethyl-[hydroxy(propyl)amino]amino]ethanol?
The InChIKey is GGIPJKSFDBWTMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H18N2O3/c1-2-3-9(12)8(4-6-10)5-7-11/h10-12H,2-7H2,1H3.
What are the key properties of 2-[2-hydroxyethyl-[hydroxy(propyl)amino]amino]ethanol?
2-[2-hydroxyethyl-[hydroxy(propyl)amino]amino]ethanol has a molecular weight of 178.23 g/mol, XLogP of -0.71, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-hydroxyethyl-[hydroxy(propyl)amino]amino]ethanol is sourced from PubChem (CID 21107817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).