3-methoxy-2,3-dimethyl-1-(1-propylimidazol-2-yl)butan-2-ol

C13H24N2O2 — CID 114228321

IUPAC3-methoxy-2,3-dimethyl-1-(1-propylimidazol-2-yl)butan-2-ol
SMILESCCCn1ccnc1CC(C)(O)C(C)(C)OC
InChIInChI=1S/C13H24N2O2/c1-6-8-15-9-7-14-11(15)10-13(4,16)12(2,3)17-5/h7,9,16H,6,8,10H2,1-5H3
InChIKeySYWJVMZXPPVIHS-UHFFFAOYSA-N
MW240.35 g/mol
LogP2.01
Rot. Bonds6

About 3-methoxy-2,3-dimethyl-1-(1-propylimidazol-2-yl)butan-2-ol

3-methoxy-2,3-dimethyl-1-(1-propylimidazol-2-yl)butan-2-ol (PubChem CID 114228321) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 3-methoxy-2,3-dimethyl-1-(1-propylimidazol-2-yl)butan-2-ol.

Molecular Properties

Compound Name3-methoxy-2,3-dimethyl-1-(1-propylimidazol-2-yl)butan-2-ol
PubChem CID114228321
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name3-methoxy-2,3-dimethyl-1-(1-propylimidazol-2-yl)butan-2-ol
SMILESCCCn1ccnc1CC(C)(O)C(C)(C)OC
InChIInChI=1S/C13H24N2O2/c1-6-8-15-9-7-14-11(15)10-13(4,16)12(2,3)17-5/h7,9,16H,6,8,10H2,1-5H3
InChIKeySYWJVMZXPPVIHS-UHFFFAOYSA-N
XLogP2.01
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-methoxy-2-methyl-3-(1-propylimidazol-2-yl)propan-2-ol
CID 79744860
2-phenyl-1-(1-propylimidazol-2-yl)propan-2-ol
CID 79744122
2-methyl-1-(propylamino)-3-(1-propylimidazol-2-yl)propan-2-ol
CID 79760722
6,6,6-trifluoro-2-methyl-1-(1-propylimidazol-2-yl)hexan-2-ol
CID 116535799
4-(tert-butylamino)-2-methyl-1-(1-propylimidazol-2-yl)butan-2-ol
CID 79761465
N-[(2-methylpropan-2-yl)oxy]-1-(1-propylimidazol-2-yl)methanamine
CID 82720219
2-(3,4-dimethylphenyl)-1-(1-propylimidazol-2-yl)propan-2-ol
CID 79744402
2-(2,5-dimethylphenyl)-1-(1-propylimidazol-2-yl)propan-2-ol
CID 79744677
2-(4-bromo-2,2-dimethylpentyl)-1-propylimidazole
CID 79762064
3-amino-1,1,1-trifluoro-2-[(1-propylimidazol-2-yl)methyl]butan-2-ol
CID 79738150
ethyl-[(1-propylimidazol-2-yl)methyl]azanium
CID 7147625
3-methyl-N-[(1-propylimidazol-2-yl)methyl]pentan-3-amine
CID 106328036

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2,3-dimethyl-1-(1-propylimidazol-2-yl)butan-2-ol?
The IUPAC name of 3-methoxy-2,3-dimethyl-1-(1-propylimidazol-2-yl)butan-2-ol (CID 114228321) is 3-methoxy-2,3-dimethyl-1-(1-propylimidazol-2-yl)butan-2-ol.
What is the SMILES notation for 3-methoxy-2,3-dimethyl-1-(1-propylimidazol-2-yl)butan-2-ol?
The canonical SMILES for 3-methoxy-2,3-dimethyl-1-(1-propylimidazol-2-yl)butan-2-ol is CCCn1ccnc1CC(C)(O)C(C)(C)OC.
What is the InChIKey of 3-methoxy-2,3-dimethyl-1-(1-propylimidazol-2-yl)butan-2-ol?
The InChIKey is SYWJVMZXPPVIHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-6-8-15-9-7-14-11(15)10-13(4,16)12(2,3)17-5/h7,9,16H,6,8,10H2,1-5H3.
What are the key properties of 3-methoxy-2,3-dimethyl-1-(1-propylimidazol-2-yl)butan-2-ol?
3-methoxy-2,3-dimethyl-1-(1-propylimidazol-2-yl)butan-2-ol has a molecular weight of 240.35 g/mol, XLogP of 2.01, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2,3-dimethyl-1-(1-propylimidazol-2-yl)butan-2-ol is sourced from PubChem (CID 114228321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).