1-(4,5-dimethylimidazol-1-yl)-3-(ethylamino)propan-2-ol

C10H19N3O — CID 62352158

IUPAC1-(4,5-dimethylimidazol-1-yl)-3-(ethylamino)propan-2-ol
SMILESCCNCC(O)Cn1cnc(C)c1C
InChIInChI=1S/C10H19N3O/c1-4-11-5-10(14)6-13-7-12-8(2)9(13)3/h7,10-11,14H,4-6H2,1-3H3
InChIKeyUCKLONOWQMNCEA-UHFFFAOYSA-N
MW197.28 g/mol
LogP0.47
Rot. Bonds5

About 1-(4,5-dimethylimidazol-1-yl)-3-(ethylamino)propan-2-ol

1-(4,5-dimethylimidazol-1-yl)-3-(ethylamino)propan-2-ol (PubChem CID 62352158) has the molecular formula C10H19N3O and a molecular weight of 197.28 g/mol. Its IUPAC name is 1-(4,5-dimethylimidazol-1-yl)-3-(ethylamino)propan-2-ol.

Molecular Properties

Compound Name1-(4,5-dimethylimidazol-1-yl)-3-(ethylamino)propan-2-ol
PubChem CID62352158
Molecular FormulaC10H19N3O
Molecular Weight197.28 g/mol
Exact Mass197.15
IUPAC Name1-(4,5-dimethylimidazol-1-yl)-3-(ethylamino)propan-2-ol
SMILESCCNCC(O)Cn1cnc(C)c1C
InChIInChI=1S/C10H19N3O/c1-4-11-5-10(14)6-13-7-12-8(2)9(13)3/h7,10-11,14H,4-6H2,1-3H3
InChIKeyUCKLONOWQMNCEA-UHFFFAOYSA-N
XLogP0.47
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dimethylimidazol-1-yl)-3-(ethylamino)propan-2-ol?
The IUPAC name of 1-(4,5-dimethylimidazol-1-yl)-3-(ethylamino)propan-2-ol (CID 62352158) is 1-(4,5-dimethylimidazol-1-yl)-3-(ethylamino)propan-2-ol.
What is the SMILES notation for 1-(4,5-dimethylimidazol-1-yl)-3-(ethylamino)propan-2-ol?
The canonical SMILES for 1-(4,5-dimethylimidazol-1-yl)-3-(ethylamino)propan-2-ol is CCNCC(O)Cn1cnc(C)c1C.
What is the InChIKey of 1-(4,5-dimethylimidazol-1-yl)-3-(ethylamino)propan-2-ol?
The InChIKey is UCKLONOWQMNCEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O/c1-4-11-5-10(14)6-13-7-12-8(2)9(13)3/h7,10-11,14H,4-6H2,1-3H3.
What are the key properties of 1-(4,5-dimethylimidazol-1-yl)-3-(ethylamino)propan-2-ol?
1-(4,5-dimethylimidazol-1-yl)-3-(ethylamino)propan-2-ol has a molecular weight of 197.28 g/mol, XLogP of 0.47, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dimethylimidazol-1-yl)-3-(ethylamino)propan-2-ol is sourced from PubChem (CID 62352158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).