2-[butyl-[2-(2-methylimidazol-1-yl)ethyl]amino]ethanol

C12H23N3O — CID 62013858

IUPAC2-[butyl-[2-(2-methylimidazol-1-yl)ethyl]amino]ethanol
SMILESCCCCN(CCO)CCn1ccnc1C
InChIInChI=1S/C12H23N3O/c1-3-4-6-14(10-11-16)8-9-15-7-5-13-12(15)2/h5,7,16H,3-4,6,8-11H2,1-2H3
InChIKeyYCIRALOQWDMFGM-UHFFFAOYSA-N
MW225.34 g/mol
LogP1.29
Rot. Bonds8

About 2-[butyl-[2-(2-methylimidazol-1-yl)ethyl]amino]ethanol

2-[butyl-[2-(2-methylimidazol-1-yl)ethyl]amino]ethanol (PubChem CID 62013858) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is 2-[butyl-[2-(2-methylimidazol-1-yl)ethyl]amino]ethanol.

Molecular Properties

Compound Name2-[butyl-[2-(2-methylimidazol-1-yl)ethyl]amino]ethanol
PubChem CID62013858
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name2-[butyl-[2-(2-methylimidazol-1-yl)ethyl]amino]ethanol
SMILESCCCCN(CCO)CCn1ccnc1C
InChIInChI=1S/C12H23N3O/c1-3-4-6-14(10-11-16)8-9-15-7-5-13-12(15)2/h5,7,16H,3-4,6,8-11H2,1-2H3
InChIKeyYCIRALOQWDMFGM-UHFFFAOYSA-N
XLogP1.29
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[butyl-[2-(2-methylimidazol-1-yl)ethyl]amino]ethanol?
The IUPAC name of 2-[butyl-[2-(2-methylimidazol-1-yl)ethyl]amino]ethanol (CID 62013858) is 2-[butyl-[2-(2-methylimidazol-1-yl)ethyl]amino]ethanol.
What is the SMILES notation for 2-[butyl-[2-(2-methylimidazol-1-yl)ethyl]amino]ethanol?
The canonical SMILES for 2-[butyl-[2-(2-methylimidazol-1-yl)ethyl]amino]ethanol is CCCCN(CCO)CCn1ccnc1C.
What is the InChIKey of 2-[butyl-[2-(2-methylimidazol-1-yl)ethyl]amino]ethanol?
The InChIKey is YCIRALOQWDMFGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c1-3-4-6-14(10-11-16)8-9-15-7-5-13-12(15)2/h5,7,16H,3-4,6,8-11H2,1-2H3.
What are the key properties of 2-[butyl-[2-(2-methylimidazol-1-yl)ethyl]amino]ethanol?
2-[butyl-[2-(2-methylimidazol-1-yl)ethyl]amino]ethanol has a molecular weight of 225.34 g/mol, XLogP of 1.29, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[butyl-[2-(2-methylimidazol-1-yl)ethyl]amino]ethanol is sourced from PubChem (CID 62013858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).