2-[(3-ethylimidazol-4-yl)methyl-methylamino]cyclohexan-1-ol

C13H23N3O — CID 102636558

IUPAC2-[(3-ethylimidazol-4-yl)methyl-methylamino]cyclohexan-1-ol
SMILESCCn1cncc1CN(C)C1CCCCC1O
InChIInChI=1S/C13H23N3O/c1-3-16-10-14-8-11(16)9-15(2)12-6-4-5-7-13(12)17/h8,10,12-13,17H,3-7,9H2,1-2H3
InChIKeyHUQAJFZYBIBIJL-UHFFFAOYSA-N
MW237.35 g/mol
LogP1.64
Rot. Bonds4

About 2-[(3-ethylimidazol-4-yl)methyl-methylamino]cyclohexan-1-ol

2-[(3-ethylimidazol-4-yl)methyl-methylamino]cyclohexan-1-ol (PubChem CID 102636558) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 2-[(3-ethylimidazol-4-yl)methyl-methylamino]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[(3-ethylimidazol-4-yl)methyl-methylamino]cyclohexan-1-ol
PubChem CID102636558
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name2-[(3-ethylimidazol-4-yl)methyl-methylamino]cyclohexan-1-ol
SMILESCCn1cncc1CN(C)C1CCCCC1O
InChIInChI=1S/C13H23N3O/c1-3-16-10-14-8-11(16)9-15(2)12-6-4-5-7-13(12)17/h8,10,12-13,17H,3-7,9H2,1-2H3
InChIKeyHUQAJFZYBIBIJL-UHFFFAOYSA-N
XLogP1.64
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[1-(1-Hydroxy-ethyl)-heptyl]-1H-imidazole-4-carbothioic acid amide
CID 14888768
3-(4-Hydroxymethyl-imidazol-1-yl)-nonan-2-ol
CID 14888756
1-[1-(1-Hydroxy-ethyl)-heptyl]-1H-imidazole-4-carboxamidine
CID 14888766
3-(4-Aminomethyl-imidazol-1-yl)-nonan-2-ol
CID 14888769
2-[4-[(3-Propan-2-ylimidazol-4-yl)methyl]piperazin-1-yl]ethanol
CID 66153268
(3S*,4R*)-1-[(1-cyclopentyl-1H-imidazol-5-yl)methyl]-4-methylpiperidine-3,4-diol
CID 72855191
(1S*,2R*)-2-[[(1-isopropyl-1H-imidazol-5-yl)methyl](methyl)amino]cyclohexanol
CID 74245680
(3'S*,4'S*)-1'-[(1-ethyl-1H-imidazol-5-yl)methyl]-1,3'-bipyrrolidin-4'-ol
CID 77089560
(3R,4R)-1-[(3-cyclohexylimidazol-4-yl)methyl]-3,4-dimethylpyrrolidin-3-ol
CID 86283114
N-methyl-1-[(2R)-oxan-2-yl]-N-[(3-propan-2-ylimidazol-4-yl)methyl]methanamine
CID 98323777
5-[[[(1S,2S)-2-methoxycyclohexyl]amino]methyl]-N,N,1-trimethylimidazol-2-amine
CID 137998792
trans-(1R,2R)-2-(difluoromethoxy)-N-[(3-propan-2-ylimidazol-4-yl)methyl]cyclohexan-1-amine
CID 138000236

Frequently Asked Questions

What is the IUPAC name of 2-[(3-ethylimidazol-4-yl)methyl-methylamino]cyclohexan-1-ol?
The IUPAC name of 2-[(3-ethylimidazol-4-yl)methyl-methylamino]cyclohexan-1-ol (CID 102636558) is 2-[(3-ethylimidazol-4-yl)methyl-methylamino]cyclohexan-1-ol.
What is the SMILES notation for 2-[(3-ethylimidazol-4-yl)methyl-methylamino]cyclohexan-1-ol?
The canonical SMILES for 2-[(3-ethylimidazol-4-yl)methyl-methylamino]cyclohexan-1-ol is CCn1cncc1CN(C)C1CCCCC1O.
What is the InChIKey of 2-[(3-ethylimidazol-4-yl)methyl-methylamino]cyclohexan-1-ol?
The InChIKey is HUQAJFZYBIBIJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-3-16-10-14-8-11(16)9-15(2)12-6-4-5-7-13(12)17/h8,10,12-13,17H,3-7,9H2,1-2H3.
What are the key properties of 2-[(3-ethylimidazol-4-yl)methyl-methylamino]cyclohexan-1-ol?
2-[(3-ethylimidazol-4-yl)methyl-methylamino]cyclohexan-1-ol has a molecular weight of 237.35 g/mol, XLogP of 1.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-ethylimidazol-4-yl)methyl-methylamino]cyclohexan-1-ol is sourced from PubChem (CID 102636558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).