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

C13H23N3O — CID 64810648

IUPAC2-cyclopropyl-3-(4,5-dimethylimidazol-1-yl)-2-(ethylamino)propan-1-ol
SMILESCCNC(CO)(Cn1cnc(C)c1C)C1CC1
InChIInChI=1S/C13H23N3O/c1-4-15-13(8-17,12-5-6-12)7-16-9-14-10(2)11(16)3/h9,12,15,17H,4-8H2,1-3H3
InChIKeyZIURTLFOXQEAJO-UHFFFAOYSA-N
MW237.35 g/mol
LogP1.25
Rot. Bonds6

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

2-cyclopropyl-3-(4,5-dimethylimidazol-1-yl)-2-(ethylamino)propan-1-ol (PubChem CID 64810648) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 2-cyclopropyl-3-(4,5-dimethylimidazol-1-yl)-2-(ethylamino)propan-1-ol.

Molecular Properties

Compound Name2-cyclopropyl-3-(4,5-dimethylimidazol-1-yl)-2-(ethylamino)propan-1-ol
PubChem CID64810648
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name2-cyclopropyl-3-(4,5-dimethylimidazol-1-yl)-2-(ethylamino)propan-1-ol
SMILESCCNC(CO)(Cn1cnc(C)c1C)C1CC1
InChIInChI=1S/C13H23N3O/c1-4-15-13(8-17,12-5-6-12)7-16-9-14-10(2)11(16)3/h9,12,15,17H,4-8H2,1-3H3
InChIKeyZIURTLFOXQEAJO-UHFFFAOYSA-N
XLogP1.25
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-3-(4,5-dimethylimidazol-1-yl)-2-(ethylamino)propan-1-ol?
The IUPAC name of 2-cyclopropyl-3-(4,5-dimethylimidazol-1-yl)-2-(ethylamino)propan-1-ol (CID 64810648) is 2-cyclopropyl-3-(4,5-dimethylimidazol-1-yl)-2-(ethylamino)propan-1-ol.
What is the SMILES notation for 2-cyclopropyl-3-(4,5-dimethylimidazol-1-yl)-2-(ethylamino)propan-1-ol?
The canonical SMILES for 2-cyclopropyl-3-(4,5-dimethylimidazol-1-yl)-2-(ethylamino)propan-1-ol is CCNC(CO)(Cn1cnc(C)c1C)C1CC1.
What is the InChIKey of 2-cyclopropyl-3-(4,5-dimethylimidazol-1-yl)-2-(ethylamino)propan-1-ol?
The InChIKey is ZIURTLFOXQEAJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-4-15-13(8-17,12-5-6-12)7-16-9-14-10(2)11(16)3/h9,12,15,17H,4-8H2,1-3H3.
What are the key properties of 2-cyclopropyl-3-(4,5-dimethylimidazol-1-yl)-2-(ethylamino)propan-1-ol?
2-cyclopropyl-3-(4,5-dimethylimidazol-1-yl)-2-(ethylamino)propan-1-ol has a molecular weight of 237.35 g/mol, XLogP of 1.25, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-3-(4,5-dimethylimidazol-1-yl)-2-(ethylamino)propan-1-ol is sourced from PubChem (CID 64810648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).