2-[[2-ethyl-2-(propylaminomethyl)butyl]-(2-hydroxyethyl)amino]ethanol

C14H32N2O2 — CID 55056370

IUPAC2-[[2-ethyl-2-(propylaminomethyl)butyl]-(2-hydroxyethyl)amino]ethanol
SMILESCCCNCC(CC)(CC)CN(CCO)CCO
InChIInChI=1S/C14H32N2O2/c1-4-7-15-12-14(5-2,6-3)13-16(8-10-17)9-11-18/h15,17-18H,4-13H2,1-3H3
InChIKeyHRKXSJYTJVUBGR-UHFFFAOYSA-N
MW260.42 g/mol
LogP1.08
Rot. Bonds12

About 2-[[2-ethyl-2-(propylaminomethyl)butyl]-(2-hydroxyethyl)amino]ethanol

2-[[2-ethyl-2-(propylaminomethyl)butyl]-(2-hydroxyethyl)amino]ethanol (PubChem CID 55056370) has the molecular formula C14H32N2O2 and a molecular weight of 260.42 g/mol. Its IUPAC name is 2-[[2-ethyl-2-(propylaminomethyl)butyl]-(2-hydroxyethyl)amino]ethanol.

Molecular Properties

Compound Name2-[[2-ethyl-2-(propylaminomethyl)butyl]-(2-hydroxyethyl)amino]ethanol
PubChem CID55056370
Molecular FormulaC14H32N2O2
Molecular Weight260.42 g/mol
Exact Mass260.25
IUPAC Name2-[[2-ethyl-2-(propylaminomethyl)butyl]-(2-hydroxyethyl)amino]ethanol
SMILESCCCNCC(CC)(CC)CN(CCO)CCO
InChIInChI=1S/C14H32N2O2/c1-4-7-15-12-14(5-2,6-3)13-16(8-10-17)9-11-18/h15,17-18H,4-13H2,1-3H3
InChIKeyHRKXSJYTJVUBGR-UHFFFAOYSA-N
XLogP1.08
TPSA55.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.42
LogP ≤ 51.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[[2,2-dimethyl-3-(propylamino)propyl]-(2-hydroxyethyl)amino]ethanol
CID 62257945
2-[[2-ethyl-2-[(2-methylpropylamino)methyl]butyl]-(2-hydroxyethyl)amino]ethanol
CID 55056371
2-[[bis(2-hydroxyethyl)amino]methyl]-2-ethylbutan-1-ol
CID 62270229
2-[[2-methyl-2-(propylaminomethyl)pentyl]-propylamino]ethanol
CID 62260774
2,2-diethyl-N-propylbutan-1-amine
CID 62724441
2-[[2-[(cyclopropylamino)methyl]-2-ethylbutyl]-propylamino]ethanol
CID 55056097
2-[2-(propylamino)ethyl-(2,2,2-trifluoroethyl)amino]ethanol
CID 107484786
2-[propyl-[3-(propylamino)propyl]amino]ethanol
CID 61424800
2-[ethyl-[3-(propylamino)propyl]amino]ethanol
CID 61387164
2-[[2-[[bis(2-hydroxyethyl)amino]methyl]-2-butylhexyl]-(2-hydroxyethyl)amino]ethanol
CID 59966457
2-ethyl-2-[(nonylamino)methyl]butan-1-ol
CID 114164917
2-[[2-[(cyclopropylamino)methyl]-2-ethylbutyl]-(2,2,2-trifluoroethyl)amino]ethanol
CID 107486939

Frequently Asked Questions

What is the IUPAC name of 2-[[2-ethyl-2-(propylaminomethyl)butyl]-(2-hydroxyethyl)amino]ethanol?
The IUPAC name of 2-[[2-ethyl-2-(propylaminomethyl)butyl]-(2-hydroxyethyl)amino]ethanol (CID 55056370) is 2-[[2-ethyl-2-(propylaminomethyl)butyl]-(2-hydroxyethyl)amino]ethanol.
What is the SMILES notation for 2-[[2-ethyl-2-(propylaminomethyl)butyl]-(2-hydroxyethyl)amino]ethanol?
The canonical SMILES for 2-[[2-ethyl-2-(propylaminomethyl)butyl]-(2-hydroxyethyl)amino]ethanol is CCCNCC(CC)(CC)CN(CCO)CCO.
What is the InChIKey of 2-[[2-ethyl-2-(propylaminomethyl)butyl]-(2-hydroxyethyl)amino]ethanol?
The InChIKey is HRKXSJYTJVUBGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H32N2O2/c1-4-7-15-12-14(5-2,6-3)13-16(8-10-17)9-11-18/h15,17-18H,4-13H2,1-3H3.
What are the key properties of 2-[[2-ethyl-2-(propylaminomethyl)butyl]-(2-hydroxyethyl)amino]ethanol?
2-[[2-ethyl-2-(propylaminomethyl)butyl]-(2-hydroxyethyl)amino]ethanol has a molecular weight of 260.42 g/mol, XLogP of 1.08, 12 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-ethyl-2-(propylaminomethyl)butyl]-(2-hydroxyethyl)amino]ethanol is sourced from PubChem (CID 55056370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).