4-(ethylamino)-1-(1-ethylimidazol-2-yl)-2-methylbutan-2-ol

C12H23N3O — CID 79760958

IUPAC4-(ethylamino)-1-(1-ethylimidazol-2-yl)-2-methylbutan-2-ol
SMILESCCNCCC(C)(O)Cc1nccn1CC
InChIInChI=1S/C12H23N3O/c1-4-13-7-6-12(3,16)10-11-14-8-9-15(11)5-2/h8-9,13,16H,4-7,10H2,1-3H3
InChIKeyIRKSBGZQAUCLOQ-UHFFFAOYSA-N
MW225.34 g/mol
LogP1.20
Rot. Bonds7

About 4-(ethylamino)-1-(1-ethylimidazol-2-yl)-2-methylbutan-2-ol

4-(ethylamino)-1-(1-ethylimidazol-2-yl)-2-methylbutan-2-ol (PubChem CID 79760958) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is 4-(ethylamino)-1-(1-ethylimidazol-2-yl)-2-methylbutan-2-ol.

Molecular Properties

Compound Name4-(ethylamino)-1-(1-ethylimidazol-2-yl)-2-methylbutan-2-ol
PubChem CID79760958
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name4-(ethylamino)-1-(1-ethylimidazol-2-yl)-2-methylbutan-2-ol
SMILESCCNCCC(C)(O)Cc1nccn1CC
InChIInChI=1S/C12H23N3O/c1-4-13-7-6-12(3,16)10-11-14-8-9-15(11)5-2/h8-9,13,16H,4-7,10H2,1-3H3
InChIKeyIRKSBGZQAUCLOQ-UHFFFAOYSA-N
XLogP1.20
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(tert-butylamino)-2-methyl-1-(1-propylimidazol-2-yl)butan-2-ol
CID 79761465
2-methyl-1-(propylamino)-3-(1-propylimidazol-2-yl)propan-2-ol
CID 79760722
1-(1-ethylimidazol-2-yl)-3-(4-fluorophenyl)-2-methylpropan-2-ol
CID 114833123
6,6,6-trifluoro-2-methyl-1-(1-propylimidazol-2-yl)hexan-2-ol
CID 116535799
1-(1-ethylimidazol-2-yl)-2-(4-ethylphenyl)propan-2-ol
CID 79744037
N-[[4-[(1-ethylimidazol-2-yl)methyl]phenyl]methyl]ethanamine
CID 79738825
N-[(1-ethylimidazol-2-yl)methyl]propan-1-amine
CID 46784352
N-ethyl-4-(1-ethylimidazol-2-yl)but-2-yn-1-amine
CID 114497927
1-methoxy-2-methyl-3-(1-propylimidazol-2-yl)propan-2-ol
CID 79744860
2-(2-bromophenyl)-1-(1-ethylimidazol-2-yl)propan-2-ol
CID 79744762
1-(1-ethylimidazol-2-yl)-4,4,4-trifluoro-3-(trifluoromethyl)butan-2-ol
CID 103312573
2-methyl-4-[2-(propylaminomethyl)imidazol-1-yl]butan-2-ol
CID 79355718

Frequently Asked Questions

What is the IUPAC name of 4-(ethylamino)-1-(1-ethylimidazol-2-yl)-2-methylbutan-2-ol?
The IUPAC name of 4-(ethylamino)-1-(1-ethylimidazol-2-yl)-2-methylbutan-2-ol (CID 79760958) is 4-(ethylamino)-1-(1-ethylimidazol-2-yl)-2-methylbutan-2-ol.
What is the SMILES notation for 4-(ethylamino)-1-(1-ethylimidazol-2-yl)-2-methylbutan-2-ol?
The canonical SMILES for 4-(ethylamino)-1-(1-ethylimidazol-2-yl)-2-methylbutan-2-ol is CCNCCC(C)(O)Cc1nccn1CC.
What is the InChIKey of 4-(ethylamino)-1-(1-ethylimidazol-2-yl)-2-methylbutan-2-ol?
The InChIKey is IRKSBGZQAUCLOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c1-4-13-7-6-12(3,16)10-11-14-8-9-15(11)5-2/h8-9,13,16H,4-7,10H2,1-3H3.
What are the key properties of 4-(ethylamino)-1-(1-ethylimidazol-2-yl)-2-methylbutan-2-ol?
4-(ethylamino)-1-(1-ethylimidazol-2-yl)-2-methylbutan-2-ol has a molecular weight of 225.34 g/mol, XLogP of 1.20, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylamino)-1-(1-ethylimidazol-2-yl)-2-methylbutan-2-ol is sourced from PubChem (CID 79760958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).