(1R)-1-amino-2-[2-(2-aminoethoxy)ethoxy]ethanol

C6H16N2O3 — CID 118402947

IUPAC(1R)-1-amino-2-[2-(2-aminoethoxy)ethoxy]ethanol
SMILESNCCOCCOC[C@H](N)O
InChIInChI=1S/C6H16N2O3/c7-1-2-10-3-4-11-5-6(8)9/h6,9H,1-5,7-8H2/t6-/m1/s1
InChIKeyOWCQNSRRCJRDTI-ZCFIWIBFSA-N
MW164.21 g/mol
LogP-1.74
Rot. Bonds7

About (1R)-1-amino-2-[2-(2-aminoethoxy)ethoxy]ethanol

(1R)-1-amino-2-[2-(2-aminoethoxy)ethoxy]ethanol (PubChem CID 118402947) has the molecular formula C6H16N2O3 and a molecular weight of 164.21 g/mol. Its IUPAC name is (1R)-1-amino-2-[2-(2-aminoethoxy)ethoxy]ethanol.

Molecular Properties

Compound Name(1R)-1-amino-2-[2-(2-aminoethoxy)ethoxy]ethanol
PubChem CID118402947
Molecular FormulaC6H16N2O3
Molecular Weight164.21 g/mol
Exact Mass164.12
IUPAC Name(1R)-1-amino-2-[2-(2-aminoethoxy)ethoxy]ethanol
SMILESNCCOCCOC[C@H](N)O
InChIInChI=1S/C6H16N2O3/c7-1-2-10-3-4-11-5-6(8)9/h6,9H,1-5,7-8H2/t6-/m1/s1
InChIKeyOWCQNSRRCJRDTI-ZCFIWIBFSA-N
XLogP-1.74
TPSA90.73 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.21
LogP ≤ 5-1.74
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'}

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Related Compounds

1-[2-(2-aminoethoxy)ethoxy]-3-methylbutan-2-ol
CID 144781174
1-amino-2-(2-hydroxyethoxy)ethanol;hydrofluoride
CID 173050700
2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethanamine;azane
CID 174533279
1-(2-aminoethoxy)propan-2-ol;hydrochloride
CID 86645518
1-amino-2-[2-[2-[2-(10,10-dimethylundecoxy)ethoxy]ethoxy]ethoxy]ethanol
CID 101137569
2-(2-aminoethoxy)ethanamine;azane
CID 87273439
2-(2-aminoethoxymethyl)propane-1,3-diol
CID 118527110
2-(2-aminoethoxy)ethanamine;hydron;dichloride
CID 74764781
2-(2-aminoethoxy)-1-(1-hydroxyethylamino)ethanol
CID 57197052
2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]acetate
CID 23086951
1-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]propan-2-yl formate
CID 176704831
2-[2-[3-[2-(2-aminoethoxy)ethoxy]-2-[2-(2-aminoethoxy)ethoxymethyl]propoxy]ethoxy]ethylcarbamic acid
CID 88542577

Frequently Asked Questions

What is the IUPAC name of (1R)-1-amino-2-[2-(2-aminoethoxy)ethoxy]ethanol?
The IUPAC name of (1R)-1-amino-2-[2-(2-aminoethoxy)ethoxy]ethanol (CID 118402947) is (1R)-1-amino-2-[2-(2-aminoethoxy)ethoxy]ethanol.
What is the SMILES notation for (1R)-1-amino-2-[2-(2-aminoethoxy)ethoxy]ethanol?
The canonical SMILES for (1R)-1-amino-2-[2-(2-aminoethoxy)ethoxy]ethanol is NCCOCCOC[C@H](N)O.
What is the InChIKey of (1R)-1-amino-2-[2-(2-aminoethoxy)ethoxy]ethanol?
The InChIKey is OWCQNSRRCJRDTI-ZCFIWIBFSA-N. The full InChI is InChI=1S/C6H16N2O3/c7-1-2-10-3-4-11-5-6(8)9/h6,9H,1-5,7-8H2/t6-/m1/s1.
What are the key properties of (1R)-1-amino-2-[2-(2-aminoethoxy)ethoxy]ethanol?
(1R)-1-amino-2-[2-(2-aminoethoxy)ethoxy]ethanol has a molecular weight of 164.21 g/mol, XLogP of -1.74, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-amino-2-[2-(2-aminoethoxy)ethoxy]ethanol is sourced from PubChem (CID 118402947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).