4-methyl-1-[2-(2-methylimidazol-1-yl)ethyl]azepan-4-ol

C13H23N3O — CID 107408049

IUPAC4-methyl-1-[2-(2-methylimidazol-1-yl)ethyl]azepan-4-ol
SMILESCc1nccn1CCN1CCCC(C)(O)CC1
InChIInChI=1S/C13H23N3O/c1-12-14-6-9-16(12)11-10-15-7-3-4-13(2,17)5-8-15/h6,9,17H,3-5,7-8,10-11H2,1-2H3
InChIKeyNSOHYWNHRSJGCG-UHFFFAOYSA-N
MW237.35 g/mol
LogP1.43
Rot. Bonds3

About 4-methyl-1-[2-(2-methylimidazol-1-yl)ethyl]azepan-4-ol

4-methyl-1-[2-(2-methylimidazol-1-yl)ethyl]azepan-4-ol (PubChem CID 107408049) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 4-methyl-1-[2-(2-methylimidazol-1-yl)ethyl]azepan-4-ol.

Molecular Properties

Compound Name4-methyl-1-[2-(2-methylimidazol-1-yl)ethyl]azepan-4-ol
PubChem CID107408049
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name4-methyl-1-[2-(2-methylimidazol-1-yl)ethyl]azepan-4-ol
SMILESCc1nccn1CCN1CCCC(C)(O)CC1
InChIInChI=1S/C13H23N3O/c1-12-14-6-9-16(12)11-10-15-7-3-4-13(2,17)5-8-15/h6,9,17H,3-5,7-8,10-11H2,1-2H3
InChIKeyNSOHYWNHRSJGCG-UHFFFAOYSA-N
XLogP1.43
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-1-[2-(2-methylimidazol-1-yl)ethyl]piperidin-3-ol
CID 115874156
1-[2-(2-methylimidazol-1-yl)ethyl]piperidine
CID 61225679
N-methyl-1-[3-methyl-1-[2-(2-methylimidazol-1-yl)ethyl]pyrrolidin-3-yl]methanamine
CID 106318634
1-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]ethanone
CID 90533655
1-(3-chloropropyl)-4-methylazepan-4-ol
CID 107407609
3-methyl-1-[2-(2-methylimidazol-1-yl)ethyl]piperidin-4-ol
CID 114502459
2-cyclohexyl-1-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]ethanone
CID 90533668
N-[(1-methylcyclopentyl)methyl]-2-(2-methylimidazol-1-yl)ethanamine
CID 63821869
4-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]aniline
CID 61493689
[1-[2-(2-methylimidazol-1-yl)ethylamino]cyclohexyl]methanol
CID 55082128
1-[2-(2-methylimidazol-1-yl)ethyl]piperidine-4-carbaldehyde
CID 62656814
N-ethyl-2-[4-[2-(2-methylimidazol-1-yl)ethyl]piperazin-1-yl]acetamide
CID 90533948

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[2-(2-methylimidazol-1-yl)ethyl]azepan-4-ol?
The IUPAC name of 4-methyl-1-[2-(2-methylimidazol-1-yl)ethyl]azepan-4-ol (CID 107408049) is 4-methyl-1-[2-(2-methylimidazol-1-yl)ethyl]azepan-4-ol.
What is the SMILES notation for 4-methyl-1-[2-(2-methylimidazol-1-yl)ethyl]azepan-4-ol?
The canonical SMILES for 4-methyl-1-[2-(2-methylimidazol-1-yl)ethyl]azepan-4-ol is Cc1nccn1CCN1CCCC(C)(O)CC1.
What is the InChIKey of 4-methyl-1-[2-(2-methylimidazol-1-yl)ethyl]azepan-4-ol?
The InChIKey is NSOHYWNHRSJGCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-12-14-6-9-16(12)11-10-15-7-3-4-13(2,17)5-8-15/h6,9,17H,3-5,7-8,10-11H2,1-2H3.
What are the key properties of 4-methyl-1-[2-(2-methylimidazol-1-yl)ethyl]azepan-4-ol?
4-methyl-1-[2-(2-methylimidazol-1-yl)ethyl]azepan-4-ol has a molecular weight of 237.35 g/mol, XLogP of 1.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[2-(2-methylimidazol-1-yl)ethyl]azepan-4-ol is sourced from PubChem (CID 107408049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).