3-(diethylamino)-3-ethyl-1-(1-propylimidazol-2-yl)pentan-2-ol

C17H33N3O — CID 79752739

IUPAC3-(diethylamino)-3-ethyl-1-(1-propylimidazol-2-yl)pentan-2-ol
SMILESCCCn1ccnc1CC(O)C(CC)(CC)N(CC)CC
InChIInChI=1S/C17H33N3O/c1-6-12-19-13-11-18-16(19)14-15(21)17(7-2,8-3)20(9-4)10-5/h11,13,15,21H,6-10,12,14H2,1-5H3
InChIKeyMXPAZIXOWAYPPA-UHFFFAOYSA-N
MW295.47 g/mol
LogP3.10
Rot. Bonds10

About 3-(diethylamino)-3-ethyl-1-(1-propylimidazol-2-yl)pentan-2-ol

3-(diethylamino)-3-ethyl-1-(1-propylimidazol-2-yl)pentan-2-ol (PubChem CID 79752739) has the molecular formula C17H33N3O and a molecular weight of 295.47 g/mol. Its IUPAC name is 3-(diethylamino)-3-ethyl-1-(1-propylimidazol-2-yl)pentan-2-ol.

Molecular Properties

Compound Name3-(diethylamino)-3-ethyl-1-(1-propylimidazol-2-yl)pentan-2-ol
PubChem CID79752739
Molecular FormulaC17H33N3O
Molecular Weight295.47 g/mol
Exact Mass295.26
IUPAC Name3-(diethylamino)-3-ethyl-1-(1-propylimidazol-2-yl)pentan-2-ol
SMILESCCCn1ccnc1CC(O)C(CC)(CC)N(CC)CC
InChIInChI=1S/C17H33N3O/c1-6-12-19-13-11-18-16(19)14-15(21)17(7-2,8-3)20(9-4)10-5/h11,13,15,21H,6-10,12,14H2,1-5H3
InChIKeyMXPAZIXOWAYPPA-UHFFFAOYSA-N
XLogP3.10
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.47
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(diethylamino)-3-ethyl-1-(2-methyl-1,2,4-triazol-3-yl)pentan-2-ol
CID 79061531
1-(1-methylpyrazol-3-yl)-2-(1-propylimidazol-2-yl)ethanol
CID 79753116
1-(1-methylimidazol-4-yl)-2-(1-propylimidazol-2-yl)ethanol
CID 107978538
3-ethyl-2-N,3-N,3-N-trimethyl-1-(1-propylimidazol-2-yl)pentane-2,3-diamine
CID 79762367
2-(diethylamino)-2-methyl-1-(1-propylimidazol-2-yl)butan-1-ol
CID 79064029
2-(diethylamino)-2-methyl-1-(1-propylimidazol-2-yl)propan-1-ol
CID 79053769
1-(propylamino)-3-(1-propylimidazol-2-yl)propan-2-ol
CID 79761462
2-(1-propylimidazol-2-yl)-1-(2,2,3,3-tetramethylcyclopropyl)ethanol
CID 115821078
3-ethoxy-4-methyl-1-(1-propylimidazol-2-yl)pentan-2-ol
CID 116712374
methyl 2-hydroxy-3-(1-propylimidazol-2-yl)propanoate
CID 79744437
1-(5-chlorofuran-2-yl)-2-(1-propylimidazol-2-yl)ethanol
CID 106693891
1-(5-chloro-1-methylimidazol-2-yl)-2-(1-propylimidazol-2-yl)ethanol
CID 114239445

Frequently Asked Questions

What is the IUPAC name of 3-(diethylamino)-3-ethyl-1-(1-propylimidazol-2-yl)pentan-2-ol?
The IUPAC name of 3-(diethylamino)-3-ethyl-1-(1-propylimidazol-2-yl)pentan-2-ol (CID 79752739) is 3-(diethylamino)-3-ethyl-1-(1-propylimidazol-2-yl)pentan-2-ol.
What is the SMILES notation for 3-(diethylamino)-3-ethyl-1-(1-propylimidazol-2-yl)pentan-2-ol?
The canonical SMILES for 3-(diethylamino)-3-ethyl-1-(1-propylimidazol-2-yl)pentan-2-ol is CCCn1ccnc1CC(O)C(CC)(CC)N(CC)CC.
What is the InChIKey of 3-(diethylamino)-3-ethyl-1-(1-propylimidazol-2-yl)pentan-2-ol?
The InChIKey is MXPAZIXOWAYPPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3O/c1-6-12-19-13-11-18-16(19)14-15(21)17(7-2,8-3)20(9-4)10-5/h11,13,15,21H,6-10,12,14H2,1-5H3.
What are the key properties of 3-(diethylamino)-3-ethyl-1-(1-propylimidazol-2-yl)pentan-2-ol?
3-(diethylamino)-3-ethyl-1-(1-propylimidazol-2-yl)pentan-2-ol has a molecular weight of 295.47 g/mol, XLogP of 3.10, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(diethylamino)-3-ethyl-1-(1-propylimidazol-2-yl)pentan-2-ol is sourced from PubChem (CID 79752739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).