1-(1-ethylimidazol-2-yl)-2,2-dimethylbutan-1-ol

C11H20N2O — CID 115800026

IUPAC1-(1-ethylimidazol-2-yl)-2,2-dimethylbutan-1-ol
SMILESCCn1ccnc1C(O)C(C)(C)CC
InChIInChI=1S/C11H20N2O/c1-5-11(3,4)9(14)10-12-7-8-13(10)6-2/h7-9,14H,5-6H2,1-4H3
InChIKeyFKWBRWMIBRFRBS-UHFFFAOYSA-N
MW196.29 g/mol
LogP2.37
Rot. Bonds4

About 1-(1-ethylimidazol-2-yl)-2,2-dimethylbutan-1-ol

1-(1-ethylimidazol-2-yl)-2,2-dimethylbutan-1-ol (PubChem CID 115800026) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is 1-(1-ethylimidazol-2-yl)-2,2-dimethylbutan-1-ol.

Molecular Properties

Compound Name1-(1-ethylimidazol-2-yl)-2,2-dimethylbutan-1-ol
PubChem CID115800026
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name1-(1-ethylimidazol-2-yl)-2,2-dimethylbutan-1-ol
SMILESCCn1ccnc1C(O)C(C)(C)CC
InChIInChI=1S/C11H20N2O/c1-5-11(3,4)9(14)10-12-7-8-13(10)6-2/h7-9,14H,5-6H2,1-4H3
InChIKeyFKWBRWMIBRFRBS-UHFFFAOYSA-N
XLogP2.37
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(dimethylamino)-1-(1-ethylimidazol-2-yl)-2-methylbutan-1-ol
CID 79063348
2,2-dimethyl-1-(1-methylimidazol-2-yl)butan-1-ol
CID 115799884
1-(1-ethylimidazol-2-yl)-3,3-dimethylbutane-1,2-diol
CID 103457324
2-(azepan-1-yl)-1-(1-ethylimidazol-2-yl)-2-methylpropan-1-ol
CID 79051803
2,2-dimethyl-1-(1-pentylimidazol-2-yl)propan-1-ol
CID 102490463
(1R)-1-(1-butylimidazol-2-yl)-2,2,2-trifluoroethanol
CID 9267880
2-(diethylamino)-2-methyl-1-(1-propylimidazol-2-yl)butan-1-ol
CID 79064029
2-(dimethylamino)-2-methyl-1-(1-propylimidazol-2-yl)propan-1-ol
CID 79047519
1-(1-ethylimidazol-2-yl)-2-phenylethanol
CID 63976496
2-(diethylamino)-2-methyl-1-(1-propylimidazol-2-yl)propan-1-ol
CID 79053769
1-(1-ethylimidazol-2-yl)-2-methoxypropan-1-ol
CID 79616649
2-(1-bromoethyl)-1-ethylimidazole
CID 71635251

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylimidazol-2-yl)-2,2-dimethylbutan-1-ol?
The IUPAC name of 1-(1-ethylimidazol-2-yl)-2,2-dimethylbutan-1-ol (CID 115800026) is 1-(1-ethylimidazol-2-yl)-2,2-dimethylbutan-1-ol.
What is the SMILES notation for 1-(1-ethylimidazol-2-yl)-2,2-dimethylbutan-1-ol?
The canonical SMILES for 1-(1-ethylimidazol-2-yl)-2,2-dimethylbutan-1-ol is CCn1ccnc1C(O)C(C)(C)CC.
What is the InChIKey of 1-(1-ethylimidazol-2-yl)-2,2-dimethylbutan-1-ol?
The InChIKey is FKWBRWMIBRFRBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-5-11(3,4)9(14)10-12-7-8-13(10)6-2/h7-9,14H,5-6H2,1-4H3.
What are the key properties of 1-(1-ethylimidazol-2-yl)-2,2-dimethylbutan-1-ol?
1-(1-ethylimidazol-2-yl)-2,2-dimethylbutan-1-ol has a molecular weight of 196.29 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylimidazol-2-yl)-2,2-dimethylbutan-1-ol is sourced from PubChem (CID 115800026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).