3-(2-ethylimidazol-1-yl)-2-(propan-2-ylamino)propan-1-ol

C11H21N3O — CID 64810311

IUPAC3-(2-ethylimidazol-1-yl)-2-(propan-2-ylamino)propan-1-ol
SMILESCCc1nccn1CC(CO)NC(C)C
InChIInChI=1S/C11H21N3O/c1-4-11-12-5-6-14(11)7-10(8-15)13-9(2)3/h5-6,9-10,13,15H,4,7-8H2,1-3H3
InChIKeyDJAYSECRLBGDDP-UHFFFAOYSA-N
MW211.31 g/mol
LogP0.80
Rot. Bonds6

About 3-(2-ethylimidazol-1-yl)-2-(propan-2-ylamino)propan-1-ol

3-(2-ethylimidazol-1-yl)-2-(propan-2-ylamino)propan-1-ol (PubChem CID 64810311) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is 3-(2-ethylimidazol-1-yl)-2-(propan-2-ylamino)propan-1-ol.

Molecular Properties

Compound Name3-(2-ethylimidazol-1-yl)-2-(propan-2-ylamino)propan-1-ol
PubChem CID64810311
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC Name3-(2-ethylimidazol-1-yl)-2-(propan-2-ylamino)propan-1-ol
SMILESCCc1nccn1CC(CO)NC(C)C
InChIInChI=1S/C11H21N3O/c1-4-11-12-5-6-14(11)7-10(8-15)13-9(2)3/h5-6,9-10,13,15H,4,7-8H2,1-3H3
InChIKeyDJAYSECRLBGDDP-UHFFFAOYSA-N
XLogP0.80
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(ethylamino)-4-(2-ethylimidazol-1-yl)butan-1-ol
CID 64809680
2-(ethylamino)-3-(2-propylimidazol-1-yl)propan-1-ol
CID 64810250
1-(tert-butylamino)-3-(2-ethylimidazol-1-yl)propan-2-ol
CID 115475677
4-(2-phenylimidazol-1-yl)-2-(propan-2-ylamino)butan-1-ol
CID 64811969
(2-ethylimidazol-1-yl)methanamine
CID 122501271
(2R)-2-[(1-ethylimidazol-2-yl)methylamino]propan-1-ol
CID 114985494
N-[2-(2-ethylimidazol-1-yl)ethyl]-3-methylbutan-2-amine
CID 62565130
2-ethyl-1-[6-(2-ethylimidazol-1-yl)hexyl]imidazole
CID 132598751
[4-[(2-ethylimidazol-1-yl)methyl]phenyl]methanol
CID 110005702
2-ethyl-1-(2-propan-2-yloxyethyl)imidazole
CID 63810193
6-(2-ethylimidazol-1-yl)-N-methylhexan-3-amine
CID 106800331
1-cyclopentyl-2-(2-ethylimidazol-1-yl)ethanone
CID 115769665

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethylimidazol-1-yl)-2-(propan-2-ylamino)propan-1-ol?
The IUPAC name of 3-(2-ethylimidazol-1-yl)-2-(propan-2-ylamino)propan-1-ol (CID 64810311) is 3-(2-ethylimidazol-1-yl)-2-(propan-2-ylamino)propan-1-ol.
What is the SMILES notation for 3-(2-ethylimidazol-1-yl)-2-(propan-2-ylamino)propan-1-ol?
The canonical SMILES for 3-(2-ethylimidazol-1-yl)-2-(propan-2-ylamino)propan-1-ol is CCc1nccn1CC(CO)NC(C)C.
What is the InChIKey of 3-(2-ethylimidazol-1-yl)-2-(propan-2-ylamino)propan-1-ol?
The InChIKey is DJAYSECRLBGDDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O/c1-4-11-12-5-6-14(11)7-10(8-15)13-9(2)3/h5-6,9-10,13,15H,4,7-8H2,1-3H3.
What are the key properties of 3-(2-ethylimidazol-1-yl)-2-(propan-2-ylamino)propan-1-ol?
3-(2-ethylimidazol-1-yl)-2-(propan-2-ylamino)propan-1-ol has a molecular weight of 211.31 g/mol, XLogP of 0.80, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethylimidazol-1-yl)-2-(propan-2-ylamino)propan-1-ol is sourced from PubChem (CID 64810311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).