2-[(1-ethylimidazol-2-yl)methyl-pentan-3-ylamino]ethanol

C13H25N3O — CID 62735874

IUPAC2-[(1-ethylimidazol-2-yl)methyl-pentan-3-ylamino]ethanol
SMILESCCC(CC)N(CCO)Cc1nccn1CC
InChIInChI=1S/C13H25N3O/c1-4-12(5-2)16(9-10-17)11-13-14-7-8-15(13)6-3/h7-8,12,17H,4-6,9-11H2,1-3H3
InChIKeyAZRLHYAPUPXTJO-UHFFFAOYSA-N
MW239.36 g/mol
LogP1.89
Rot. Bonds8

About 2-[(1-ethylimidazol-2-yl)methyl-pentan-3-ylamino]ethanol

2-[(1-ethylimidazol-2-yl)methyl-pentan-3-ylamino]ethanol (PubChem CID 62735874) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is 2-[(1-ethylimidazol-2-yl)methyl-pentan-3-ylamino]ethanol.

Molecular Properties

Compound Name2-[(1-ethylimidazol-2-yl)methyl-pentan-3-ylamino]ethanol
PubChem CID62735874
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name2-[(1-ethylimidazol-2-yl)methyl-pentan-3-ylamino]ethanol
SMILESCCC(CC)N(CCO)Cc1nccn1CC
InChIInChI=1S/C13H25N3O/c1-4-12(5-2)16(9-10-17)11-13-14-7-8-15(13)6-3/h7-8,12,17H,4-6,9-11H2,1-3H3
InChIKeyAZRLHYAPUPXTJO-UHFFFAOYSA-N
XLogP1.89
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1,2-oxazol-5-ylmethyl(pentan-3-yl)amino]ethanol
CID 62016832
2-[(1-ethylimidazol-2-yl)methyl-propylamino]acetic acid
CID 62737156
2-[pentan-3-yl-[(1-propan-2-ylpyrazol-3-yl)methyl]amino]ethanol
CID 64773175
2-[(2-methyl-1,3-thiazol-5-yl)methyl-pentan-3-ylamino]ethanol
CID 63021364
2-[benzyl-(1-ethylimidazol-2-yl)amino]ethanol
CID 55039440
2-[(1-methylimidazol-2-yl)-pentan-3-ylamino]ethanol
CID 62131662
1-(1-ethylimidazol-2-yl)-3-methylpentan-2-ol
CID 79744876
1-ethyl-2-(iodomethyl)imidazole
CID 64786618
1-N,1-N,3-N-triethyl-4-(1-ethylimidazol-2-yl)butane-1,3-diamine
CID 79762134
2-[(1-ethylimidazol-2-yl)methyl-(2-methylpropyl)amino]acetic acid
CID 55148594
3-(1-ethylimidazol-2-yl)-N-[3-(1-ethylimidazol-2-yl)propyl]-N-methylpropan-1-amine
CID 140833519
(2R)-2-[(1-ethylimidazol-2-yl)methylamino]propan-1-ol
CID 114985494

Frequently Asked Questions

What is the IUPAC name of 2-[(1-ethylimidazol-2-yl)methyl-pentan-3-ylamino]ethanol?
The IUPAC name of 2-[(1-ethylimidazol-2-yl)methyl-pentan-3-ylamino]ethanol (CID 62735874) is 2-[(1-ethylimidazol-2-yl)methyl-pentan-3-ylamino]ethanol.
What is the SMILES notation for 2-[(1-ethylimidazol-2-yl)methyl-pentan-3-ylamino]ethanol?
The canonical SMILES for 2-[(1-ethylimidazol-2-yl)methyl-pentan-3-ylamino]ethanol is CCC(CC)N(CCO)Cc1nccn1CC.
What is the InChIKey of 2-[(1-ethylimidazol-2-yl)methyl-pentan-3-ylamino]ethanol?
The InChIKey is AZRLHYAPUPXTJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-4-12(5-2)16(9-10-17)11-13-14-7-8-15(13)6-3/h7-8,12,17H,4-6,9-11H2,1-3H3.
What are the key properties of 2-[(1-ethylimidazol-2-yl)methyl-pentan-3-ylamino]ethanol?
2-[(1-ethylimidazol-2-yl)methyl-pentan-3-ylamino]ethanol has a molecular weight of 239.36 g/mol, XLogP of 1.89, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-ethylimidazol-2-yl)methyl-pentan-3-ylamino]ethanol is sourced from PubChem (CID 62735874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).