2-(2,2-dimethyloxan-4-yl)-1-(3-ethoxypropyl)imidazole

C15H26N2O2 — CID 56740911

IUPAC2-(2,2-dimethyloxan-4-yl)-1-(3-ethoxypropyl)imidazole
SMILESCCOCCCn1ccnc1C1CCOC(C)(C)C1
InChIInChI=1S/C15H26N2O2/c1-4-18-10-5-8-17-9-7-16-14(17)13-6-11-19-15(2,3)12-13/h7,9,13H,4-6,8,10-12H2,1-3H3
InChIKeyYBOTXZHYWMRMEF-UHFFFAOYSA-N
MW266.38 g/mol
LogP2.98
Rot. Bonds6

About 2-(2,2-dimethyloxan-4-yl)-1-(3-ethoxypropyl)imidazole

2-(2,2-dimethyloxan-4-yl)-1-(3-ethoxypropyl)imidazole (PubChem CID 56740911) has the molecular formula C15H26N2O2 and a molecular weight of 266.38 g/mol. Its IUPAC name is 2-(2,2-dimethyloxan-4-yl)-1-(3-ethoxypropyl)imidazole.

Molecular Properties

Compound Name2-(2,2-dimethyloxan-4-yl)-1-(3-ethoxypropyl)imidazole
PubChem CID56740911
Molecular FormulaC15H26N2O2
Molecular Weight266.38 g/mol
Exact Mass266.20
IUPAC Name2-(2,2-dimethyloxan-4-yl)-1-(3-ethoxypropyl)imidazole
SMILESCCOCCCn1ccnc1C1CCOC(C)(C)C1
InChIInChI=1S/C15H26N2O2/c1-4-18-10-5-8-17-9-7-16-14(17)13-6-11-19-15(2,3)12-13/h7,9,13H,4-6,8,10-12H2,1-3H3
InChIKeyYBOTXZHYWMRMEF-UHFFFAOYSA-N
XLogP2.98
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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CID 70751123
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2-Ethoxy-7-[(1-methylimidazol-2-yl)methyl]-7-azaspiro[3.5]nonane
CID 97451228
7-[(1-Methylimidazol-2-yl)methyl]-2-(2-methylpropoxy)-7-azaspiro[3.5]nonane
CID 97451248
3-imidazol-1-yl-N-[[(3S,4S)-3-methoxy-3,6,6-trimethyldioxan-4-yl]methyl]propan-1-amine
CID 155526319
3-imidazol-1-yl-N-[[(3R,4R)-3-methoxy-3,6,6-trimethyldioxan-4-yl]methyl]propan-1-amine
CID 162675348
(1-methyl-1H-imidazol-2-yl)(oxan-4-yl)methanamine
CID 65334856
1-(2-methoxyethyl)-3-[1-(2-methoxyethyl)-1H-imidazol-2-yl]piperidine
CID 70726324
1-[1-(2-methoxyethyl)-1H-imidazol-2-yl]-N-methyl-N-(tetrahydro-2H-pyran-4-ylmethyl)methanamine
CID 77096923
7-[3-(2-methyl-1H-imidazol-1-yl)propyl]-1-oxa-7-azaspiro[3.5]nonane
CID 91831823
5-[3-[2-[(4S)-2,2-dimethyloxan-4-yl]imidazol-1-yl]propyl]-2H-tetrazole
CID 95724185
4-[2-[(4S)-2,2-dimethyloxan-4-yl]imidazol-1-yl]-1-methylsulfonylpiperidine
CID 96386205

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethyloxan-4-yl)-1-(3-ethoxypropyl)imidazole?
The IUPAC name of 2-(2,2-dimethyloxan-4-yl)-1-(3-ethoxypropyl)imidazole (CID 56740911) is 2-(2,2-dimethyloxan-4-yl)-1-(3-ethoxypropyl)imidazole.
What is the SMILES notation for 2-(2,2-dimethyloxan-4-yl)-1-(3-ethoxypropyl)imidazole?
The canonical SMILES for 2-(2,2-dimethyloxan-4-yl)-1-(3-ethoxypropyl)imidazole is CCOCCCn1ccnc1C1CCOC(C)(C)C1.
What is the InChIKey of 2-(2,2-dimethyloxan-4-yl)-1-(3-ethoxypropyl)imidazole?
The InChIKey is YBOTXZHYWMRMEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2/c1-4-18-10-5-8-17-9-7-16-14(17)13-6-11-19-15(2,3)12-13/h7,9,13H,4-6,8,10-12H2,1-3H3.
What are the key properties of 2-(2,2-dimethyloxan-4-yl)-1-(3-ethoxypropyl)imidazole?
2-(2,2-dimethyloxan-4-yl)-1-(3-ethoxypropyl)imidazole has a molecular weight of 266.38 g/mol, XLogP of 2.98, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethyloxan-4-yl)-1-(3-ethoxypropyl)imidazole is sourced from PubChem (CID 56740911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).