4-heptan-3-yl-1-hydroxy-2,2,5,5-tetramethylimidazole

C14H28N2O — CID 137397624

IUPAC4-heptan-3-yl-1-hydroxy-2,2,5,5-tetramethylimidazole
SMILESCCCCC(CC)C1=NC(C)(C)N(O)C1(C)C
InChIInChI=1S/C14H28N2O/c1-7-9-10-11(8-2)12-13(3,4)16(17)14(5,6)15-12/h11,17H,7-10H2,1-6H3
InChIKeyHENITQOMCZZXMF-UHFFFAOYSA-N
MW240.39 g/mol
LogP3.86
Rot. Bonds5

About 4-heptan-3-yl-1-hydroxy-2,2,5,5-tetramethylimidazole

4-heptan-3-yl-1-hydroxy-2,2,5,5-tetramethylimidazole (PubChem CID 137397624) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is 4-heptan-3-yl-1-hydroxy-2,2,5,5-tetramethylimidazole.

Molecular Properties

Compound Name4-heptan-3-yl-1-hydroxy-2,2,5,5-tetramethylimidazole
PubChem CID137397624
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name4-heptan-3-yl-1-hydroxy-2,2,5,5-tetramethylimidazole
SMILESCCCCC(CC)C1=NC(C)(C)N(O)C1(C)C
InChIInChI=1S/C14H28N2O/c1-7-9-10-11(8-2)12-13(3,4)16(17)14(5,6)15-12/h11,17H,7-10H2,1-6H3
InChIKeyHENITQOMCZZXMF-UHFFFAOYSA-N
XLogP3.86
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-heptan-3-yl-1-hydroxy-2,2,5,5-tetramethylimidazole?
The IUPAC name of 4-heptan-3-yl-1-hydroxy-2,2,5,5-tetramethylimidazole (CID 137397624) is 4-heptan-3-yl-1-hydroxy-2,2,5,5-tetramethylimidazole.
What is the SMILES notation for 4-heptan-3-yl-1-hydroxy-2,2,5,5-tetramethylimidazole?
The canonical SMILES for 4-heptan-3-yl-1-hydroxy-2,2,5,5-tetramethylimidazole is CCCCC(CC)C1=NC(C)(C)N(O)C1(C)C.
What is the InChIKey of 4-heptan-3-yl-1-hydroxy-2,2,5,5-tetramethylimidazole?
The InChIKey is HENITQOMCZZXMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-7-9-10-11(8-2)12-13(3,4)16(17)14(5,6)15-12/h11,17H,7-10H2,1-6H3.
What are the key properties of 4-heptan-3-yl-1-hydroxy-2,2,5,5-tetramethylimidazole?
4-heptan-3-yl-1-hydroxy-2,2,5,5-tetramethylimidazole has a molecular weight of 240.39 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-heptan-3-yl-1-hydroxy-2,2,5,5-tetramethylimidazole is sourced from PubChem (CID 137397624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).