3-ethoxy-4-methyl-1-(1-propylimidazol-2-yl)pentan-2-ol

C14H26N2O2 — CID 116712374

IUPAC3-ethoxy-4-methyl-1-(1-propylimidazol-2-yl)pentan-2-ol
SMILESCCCn1ccnc1CC(O)C(OCC)C(C)C
InChIInChI=1S/C14H26N2O2/c1-5-8-16-9-7-15-13(16)10-12(17)14(11(3)4)18-6-2/h7,9,11-12,14,17H,5-6,8,10H2,1-4H3
InChIKeyMXGAAWKNADDNFI-UHFFFAOYSA-N
MW254.37 g/mol
LogP2.26
Rot. Bonds8

About 3-ethoxy-4-methyl-1-(1-propylimidazol-2-yl)pentan-2-ol

3-ethoxy-4-methyl-1-(1-propylimidazol-2-yl)pentan-2-ol (PubChem CID 116712374) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is 3-ethoxy-4-methyl-1-(1-propylimidazol-2-yl)pentan-2-ol.

Molecular Properties

Compound Name3-ethoxy-4-methyl-1-(1-propylimidazol-2-yl)pentan-2-ol
PubChem CID116712374
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name3-ethoxy-4-methyl-1-(1-propylimidazol-2-yl)pentan-2-ol
SMILESCCCn1ccnc1CC(O)C(OCC)C(C)C
InChIInChI=1S/C14H26N2O2/c1-5-8-16-9-7-15-13(16)10-12(17)14(11(3)4)18-6-2/h7,9,11-12,14,17H,5-6,8,10H2,1-4H3
InChIKeyMXGAAWKNADDNFI-UHFFFAOYSA-N
XLogP2.26
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1,1-diethoxy-3-(1-propylimidazol-2-yl)propan-2-amine
CID 79760794
[3-ethoxy-1-(1-ethylimidazol-2-yl)-4-methylpentan-2-yl]hydrazine
CID 105272596
1,1-diethoxy-N-ethyl-3-(1-propylimidazol-2-yl)propan-2-amine
CID 79761416
2-ethoxy-1-(1-ethylimidazol-2-yl)-3-methylbutan-1-ol
CID 116712316
3-methoxy-4-methyl-1-(1-methylimidazol-2-yl)pentan-2-ol
CID 116711834
1-(1-methylimidazol-4-yl)-2-(1-propylimidazol-2-yl)ethanol
CID 107978538
methyl 2-hydroxy-3-(1-propylimidazol-2-yl)propanoate
CID 79744437
2-methyl-3-(1-propylimidazol-2-yl)propanal
CID 64663884
1-(1-ethylimidazol-2-yl)-3-methylpentan-2-ol
CID 79744876
N,2,3-trimethyl-4-(1-propylimidazol-2-yl)butan-1-amine
CID 81016215
N,4-dimethyl-1-(1-propylimidazol-2-yl)pentan-2-amine
CID 79752057
1-(1-methylpyrazol-3-yl)-2-(1-propylimidazol-2-yl)ethanol
CID 79753116

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-4-methyl-1-(1-propylimidazol-2-yl)pentan-2-ol?
The IUPAC name of 3-ethoxy-4-methyl-1-(1-propylimidazol-2-yl)pentan-2-ol (CID 116712374) is 3-ethoxy-4-methyl-1-(1-propylimidazol-2-yl)pentan-2-ol.
What is the SMILES notation for 3-ethoxy-4-methyl-1-(1-propylimidazol-2-yl)pentan-2-ol?
The canonical SMILES for 3-ethoxy-4-methyl-1-(1-propylimidazol-2-yl)pentan-2-ol is CCCn1ccnc1CC(O)C(OCC)C(C)C.
What is the InChIKey of 3-ethoxy-4-methyl-1-(1-propylimidazol-2-yl)pentan-2-ol?
The InChIKey is MXGAAWKNADDNFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-5-8-16-9-7-15-13(16)10-12(17)14(11(3)4)18-6-2/h7,9,11-12,14,17H,5-6,8,10H2,1-4H3.
What are the key properties of 3-ethoxy-4-methyl-1-(1-propylimidazol-2-yl)pentan-2-ol?
3-ethoxy-4-methyl-1-(1-propylimidazol-2-yl)pentan-2-ol has a molecular weight of 254.37 g/mol, XLogP of 2.26, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-4-methyl-1-(1-propylimidazol-2-yl)pentan-2-ol is sourced from PubChem (CID 116712374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).