3-ethyl-1-(3-propan-2-ylimidazol-4-yl)heptan-1-ol

C15H28N2O — CID 66164626

IUPAC3-ethyl-1-(3-propan-2-ylimidazol-4-yl)heptan-1-ol
SMILESCCCCC(CC)CC(O)c1cncn1C(C)C
InChIInChI=1S/C15H28N2O/c1-5-7-8-13(6-2)9-15(18)14-10-16-11-17(14)12(3)4/h10-13,15,18H,5-9H2,1-4H3
InChIKeyHTIAPCSVPPIVAP-UHFFFAOYSA-N
MW252.40 g/mol
LogP4.10
Rot. Bonds8

About 3-ethyl-1-(3-propan-2-ylimidazol-4-yl)heptan-1-ol

3-ethyl-1-(3-propan-2-ylimidazol-4-yl)heptan-1-ol (PubChem CID 66164626) has the molecular formula C15H28N2O and a molecular weight of 252.40 g/mol. Its IUPAC name is 3-ethyl-1-(3-propan-2-ylimidazol-4-yl)heptan-1-ol.

Molecular Properties

Compound Name3-ethyl-1-(3-propan-2-ylimidazol-4-yl)heptan-1-ol
PubChem CID66164626
Molecular FormulaC15H28N2O
Molecular Weight252.40 g/mol
Exact Mass252.22
IUPAC Name3-ethyl-1-(3-propan-2-ylimidazol-4-yl)heptan-1-ol
SMILESCCCCC(CC)CC(O)c1cncn1C(C)C
InChIInChI=1S/C15H28N2O/c1-5-7-8-13(6-2)9-15(18)14-10-16-11-17(14)12(3)4/h10-13,15,18H,5-9H2,1-4H3
InChIKeyHTIAPCSVPPIVAP-UHFFFAOYSA-N
XLogP4.10
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-hydroxy-2-methyl-4-(3-propan-2-ylimidazol-4-yl)butanoic acid
CID 66130717
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CID 79566864
2-phenyl-1-(3-propan-2-ylimidazol-4-yl)ethanol
CID 66162644
3-ethyl-1-(7-methylimidazo[1,5-a]pyridin-8-yl)heptan-1-ol
CID 155329557
3-cyclopropyl-1-(3-propan-2-ylimidazol-4-yl)propan-1-ol
CID 106590501
2-(1-pentan-3-ylpyrazol-3-yl)-1-(3-propan-2-ylimidazol-4-yl)ethanol
CID 66163237
3-methyl-1-(3-propan-2-ylimidazol-4-yl)butan-1-amine
CID 114703737
(1S)-1-(3-hexan-2-ylimidazol-4-yl)ethanamine
CID 104942866
(2R,4S)-4-ethyloctan-2-ol
CID 7015159
1-(3-methylimidazol-4-yl)hexan-1-ol
CID 66117976
2-amino-2-(3-hexan-2-ylimidazol-4-yl)ethanol
CID 114705562
2-(4-chloro-1,3-diethylpyrazol-5-yl)-1-(3-propan-2-ylimidazol-4-yl)ethanol
CID 66164228

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(3-propan-2-ylimidazol-4-yl)heptan-1-ol?
The IUPAC name of 3-ethyl-1-(3-propan-2-ylimidazol-4-yl)heptan-1-ol (CID 66164626) is 3-ethyl-1-(3-propan-2-ylimidazol-4-yl)heptan-1-ol.
What is the SMILES notation for 3-ethyl-1-(3-propan-2-ylimidazol-4-yl)heptan-1-ol?
The canonical SMILES for 3-ethyl-1-(3-propan-2-ylimidazol-4-yl)heptan-1-ol is CCCCC(CC)CC(O)c1cncn1C(C)C.
What is the InChIKey of 3-ethyl-1-(3-propan-2-ylimidazol-4-yl)heptan-1-ol?
The InChIKey is HTIAPCSVPPIVAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O/c1-5-7-8-13(6-2)9-15(18)14-10-16-11-17(14)12(3)4/h10-13,15,18H,5-9H2,1-4H3.
What are the key properties of 3-ethyl-1-(3-propan-2-ylimidazol-4-yl)heptan-1-ol?
3-ethyl-1-(3-propan-2-ylimidazol-4-yl)heptan-1-ol has a molecular weight of 252.40 g/mol, XLogP of 4.10, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-(3-propan-2-ylimidazol-4-yl)heptan-1-ol is sourced from PubChem (CID 66164626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).