2,2-dimethyl-1-(1-methylimidazol-2-yl)butan-1-ol

C10H18N2O — CID 115799884

IUPAC2,2-dimethyl-1-(1-methylimidazol-2-yl)butan-1-ol
SMILESCCC(C)(C)C(O)c1nccn1C
InChIInChI=1S/C10H18N2O/c1-5-10(2,3)8(13)9-11-6-7-12(9)4/h6-8,13H,5H2,1-4H3
InChIKeyQMWCYCUMSGHDLG-UHFFFAOYSA-N
MW182.27 g/mol
LogP1.89
Rot. Bonds3

About 2,2-dimethyl-1-(1-methylimidazol-2-yl)butan-1-ol

2,2-dimethyl-1-(1-methylimidazol-2-yl)butan-1-ol (PubChem CID 115799884) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is 2,2-dimethyl-1-(1-methylimidazol-2-yl)butan-1-ol.

Molecular Properties

Compound Name2,2-dimethyl-1-(1-methylimidazol-2-yl)butan-1-ol
PubChem CID115799884
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Name2,2-dimethyl-1-(1-methylimidazol-2-yl)butan-1-ol
SMILESCCC(C)(C)C(O)c1nccn1C
InChIInChI=1S/C10H18N2O/c1-5-10(2,3)8(13)9-11-6-7-12(9)4/h6-8,13H,5H2,1-4H3
InChIKeyQMWCYCUMSGHDLG-UHFFFAOYSA-N
XLogP1.89
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-ethylimidazol-2-yl)-2,2-dimethylbutan-1-ol
CID 115800026
2,2-dimethyl-1-(4-methyl-1,2,4-triazol-3-yl)butan-1-ol
CID 130758261
1-(1-methylimidazol-2-yl)propane-1-thiol
CID 174522847
methane;1-(1-methylimidazol-2-yl)ethanol
CID 174578222
1-methyl-2-pentan-3-ylimidazole
CID 89261277
1-(1-methylimidazol-2-yl)-2-propylpentan-1-ol
CID 115799892
2-methyl-1-[1-(1-methylimidazol-2-yl)ethylamino]propan-2-ol
CID 65104045
4,4-dimethyl-1-[1-(1-methylimidazol-2-yl)ethylamino]pentan-2-ol
CID 103913976
4,4,4-trifluoro-1-(1-methylimidazol-2-yl)butan-1-ol
CID 79954074
(2R)-1-(1-methylimidazol-2-yl)propane-1,2-diol;hydrochloride
CID 173103248
2-methyl-3-[1-(1-methylimidazol-2-yl)ethylamino]propane-1,2-diol
CID 66169614
1-(1-methylimidazol-2-yl)prop-2-en-1-ol
CID 58549926

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-(1-methylimidazol-2-yl)butan-1-ol?
The IUPAC name of 2,2-dimethyl-1-(1-methylimidazol-2-yl)butan-1-ol (CID 115799884) is 2,2-dimethyl-1-(1-methylimidazol-2-yl)butan-1-ol.
What is the SMILES notation for 2,2-dimethyl-1-(1-methylimidazol-2-yl)butan-1-ol?
The canonical SMILES for 2,2-dimethyl-1-(1-methylimidazol-2-yl)butan-1-ol is CCC(C)(C)C(O)c1nccn1C.
What is the InChIKey of 2,2-dimethyl-1-(1-methylimidazol-2-yl)butan-1-ol?
The InChIKey is QMWCYCUMSGHDLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O/c1-5-10(2,3)8(13)9-11-6-7-12(9)4/h6-8,13H,5H2,1-4H3.
What are the key properties of 2,2-dimethyl-1-(1-methylimidazol-2-yl)butan-1-ol?
2,2-dimethyl-1-(1-methylimidazol-2-yl)butan-1-ol has a molecular weight of 182.27 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-(1-methylimidazol-2-yl)butan-1-ol is sourced from PubChem (CID 115799884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).