2-[[1-(1-methylimidazol-2-yl)ethylamino]methyl]cyclohexan-1-ol

C13H23N3O — CID 64929623

IUPAC2-[[1-(1-methylimidazol-2-yl)ethylamino]methyl]cyclohexan-1-ol
SMILESCC(NCC1CCCCC1O)c1nccn1C
InChIInChI=1S/C13H23N3O/c1-10(13-14-7-8-16(13)2)15-9-11-5-3-4-6-12(11)17/h7-8,10-12,15,17H,3-6,9H2,1-2H3
InChIKeyFLTSPSSGIZOITD-UHFFFAOYSA-N
MW237.35 g/mol
LogP1.62
Rot. Bonds4

About 2-[[1-(1-methylimidazol-2-yl)ethylamino]methyl]cyclohexan-1-ol

2-[[1-(1-methylimidazol-2-yl)ethylamino]methyl]cyclohexan-1-ol (PubChem CID 64929623) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 2-[[1-(1-methylimidazol-2-yl)ethylamino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[[1-(1-methylimidazol-2-yl)ethylamino]methyl]cyclohexan-1-ol
PubChem CID64929623
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name2-[[1-(1-methylimidazol-2-yl)ethylamino]methyl]cyclohexan-1-ol
SMILESCC(NCC1CCCCC1O)c1nccn1C
InChIInChI=1S/C13H23N3O/c1-10(13-14-7-8-16(13)2)15-9-11-5-3-4-6-12(11)17/h7-8,10-12,15,17H,3-6,9H2,1-2H3
InChIKeyFLTSPSSGIZOITD-UHFFFAOYSA-N
XLogP1.62
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[1-(1-methylimidazol-2-yl)ethylamino]cyclohexyl]methanol
CID 103914086
2-[[1-(1-methylpyrazol-4-yl)ethylamino]methyl]cyclohexan-1-ol
CID 64927227
2-[[1-(1-methylbenzimidazol-2-yl)ethylamino]methyl]cyclohexan-1-ol
CID 64928260
N-[[2-(1-methylimidazol-2-yl)cycloheptyl]methyl]propan-2-amine
CID 81025904
N-[(1-cyclopropylcyclopropyl)methyl]-1-(1-methylimidazol-2-yl)ethanamine
CID 115901551
2-methyl-1-[1-(1-methylimidazol-2-yl)ethylamino]propan-2-ol
CID 65104045
2-[[1-(4-ethylphenyl)ethylamino]methyl]cyclohexan-1-ol
CID 64928037
N-[cyclooctyl-(1-methylimidazol-2-yl)methyl]ethanamine
CID 80603968
2-[(propan-2-ylamino)methyl]cyclopentan-1-ol
CID 13133892
2-[[1-(1,3-thiazol-5-yl)ethylamino]methyl]cyclohexan-1-ol
CID 115723250
N-[(2-methylcyclopropyl)methyl]-1-(1-methylimidazol-2-yl)propan-1-amine
CID 115900844
5-[1-(1-methylimidazol-2-yl)ethylamino]pentanamide
CID 106234642

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(1-methylimidazol-2-yl)ethylamino]methyl]cyclohexan-1-ol?
The IUPAC name of 2-[[1-(1-methylimidazol-2-yl)ethylamino]methyl]cyclohexan-1-ol (CID 64929623) is 2-[[1-(1-methylimidazol-2-yl)ethylamino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 2-[[1-(1-methylimidazol-2-yl)ethylamino]methyl]cyclohexan-1-ol?
The canonical SMILES for 2-[[1-(1-methylimidazol-2-yl)ethylamino]methyl]cyclohexan-1-ol is CC(NCC1CCCCC1O)c1nccn1C.
What is the InChIKey of 2-[[1-(1-methylimidazol-2-yl)ethylamino]methyl]cyclohexan-1-ol?
The InChIKey is FLTSPSSGIZOITD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-10(13-14-7-8-16(13)2)15-9-11-5-3-4-6-12(11)17/h7-8,10-12,15,17H,3-6,9H2,1-2H3.
What are the key properties of 2-[[1-(1-methylimidazol-2-yl)ethylamino]methyl]cyclohexan-1-ol?
2-[[1-(1-methylimidazol-2-yl)ethylamino]methyl]cyclohexan-1-ol has a molecular weight of 237.35 g/mol, XLogP of 1.62, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(1-methylimidazol-2-yl)ethylamino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 64929623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).