2-[2-hydroxyethyl(propyl)amino]ethanol;3-(3-hydroxypropylamino)propan-1-ol

C13H32N2O4 — CID 87517787

IUPAC2-[2-hydroxyethyl(propyl)amino]ethanol;3-(3-hydroxypropylamino)propan-1-ol
SMILESCCCN(CCO)CCO.OCCCNCCCO
InChIInChI=1S/C7H17NO2.C6H15NO2/c1-2-3-8(4-6-9)5-7-10;8-5-1-3-7-4-2-6-9/h9-10H,2-7H2,1H3;7-9H,1-6H2
InChIKeyBEJRQIPERSKNJG-UHFFFAOYSA-N
MW280.41 g/mol
LogP-0.98
Rot. Bonds12

About 2-[2-hydroxyethyl(propyl)amino]ethanol;3-(3-hydroxypropylamino)propan-1-ol

2-[2-hydroxyethyl(propyl)amino]ethanol;3-(3-hydroxypropylamino)propan-1-ol (PubChem CID 87517787) has the molecular formula C13H32N2O4 and a molecular weight of 280.41 g/mol. Its IUPAC name is 2-[2-hydroxyethyl(propyl)amino]ethanol;3-(3-hydroxypropylamino)propan-1-ol.

Molecular Properties

Compound Name2-[2-hydroxyethyl(propyl)amino]ethanol;3-(3-hydroxypropylamino)propan-1-ol
PubChem CID87517787
Molecular FormulaC13H32N2O4
Molecular Weight280.41 g/mol
Exact Mass280.24
IUPAC Name2-[2-hydroxyethyl(propyl)amino]ethanol;3-(3-hydroxypropylamino)propan-1-ol
SMILESCCCN(CCO)CCO.OCCCNCCCO
InChIInChI=1S/C7H17NO2.C6H15NO2/c1-2-3-8(4-6-9)5-7-10;8-5-1-3-7-4-2-6-9/h9-10H,2-7H2,1H3;7-9H,1-6H2
InChIKeyBEJRQIPERSKNJG-UHFFFAOYSA-N
XLogP-0.98
TPSA96.19 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 5-0.98
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[propyl-[3-(propylamino)propyl]amino]ethanol
CID 61424800
3-[2-(dodecylamino)ethyl-(2-hydroxyethyl)amino]propan-1-ol
CID 134519108
2-[3-[3-[bis(2-hydroxyethyl)amino]propylamino]propyl-(2-hydroxyethyl)amino]ethanol;trihydrofluoride
CID 173445075
2-[ethyl-[3-(propylamino)propyl]amino]ethanol
CID 61387164
N-butyl-N',N'-dipropylethane-1,2-diamine
CID 54806933
N-ethyl-N',N'-dipropylpropane-1,3-diamine
CID 19755940
4-[4-hydroxybutyl(propyl)amino]butan-1-ol
CID 22184075
2-[octadecyl(propyl)amino]ethanol
CID 151447456
2-[hexadecyl(propyl)amino]ethanol
CID 18346925
2-[3-[2-[3-[bis(2-hydroxyethyl)amino]propyl-(2-hydroxyethyl)amino]ethyl-(2-hydroxyethyl)amino]propylamino]ethanol
CID 168932712
2-[bis(2-hydroxyethyl)amino]ethanol;bis(butan-1-ol);titanium;dihydrate
CID 88801518
6-[6-hydroxyhexyl(propyl)amino]hexan-1-ol
CID 87112073

Frequently Asked Questions

What is the IUPAC name of 2-[2-hydroxyethyl(propyl)amino]ethanol;3-(3-hydroxypropylamino)propan-1-ol?
The IUPAC name of 2-[2-hydroxyethyl(propyl)amino]ethanol;3-(3-hydroxypropylamino)propan-1-ol (CID 87517787) is 2-[2-hydroxyethyl(propyl)amino]ethanol;3-(3-hydroxypropylamino)propan-1-ol.
What is the SMILES notation for 2-[2-hydroxyethyl(propyl)amino]ethanol;3-(3-hydroxypropylamino)propan-1-ol?
The canonical SMILES for 2-[2-hydroxyethyl(propyl)amino]ethanol;3-(3-hydroxypropylamino)propan-1-ol is CCCN(CCO)CCO.OCCCNCCCO.
What is the InChIKey of 2-[2-hydroxyethyl(propyl)amino]ethanol;3-(3-hydroxypropylamino)propan-1-ol?
The InChIKey is BEJRQIPERSKNJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H17NO2.C6H15NO2/c1-2-3-8(4-6-9)5-7-10;8-5-1-3-7-4-2-6-9/h9-10H,2-7H2,1H3;7-9H,1-6H2.
What are the key properties of 2-[2-hydroxyethyl(propyl)amino]ethanol;3-(3-hydroxypropylamino)propan-1-ol?
2-[2-hydroxyethyl(propyl)amino]ethanol;3-(3-hydroxypropylamino)propan-1-ol has a molecular weight of 280.41 g/mol, XLogP of -0.98, 12 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-hydroxyethyl(propyl)amino]ethanol;3-(3-hydroxypropylamino)propan-1-ol is sourced from PubChem (CID 87517787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).