1-[(1H-imidazol-5-ylmethylamino)methyl]cyclohexan-1-ol

C11H19N3O — CID 63001182

IUPAC1-[(1H-imidazol-5-ylmethylamino)methyl]cyclohexan-1-ol
SMILESOC1(CNCc2cnc[nH]2)CCCCC1
InChIInChI=1S/C11H19N3O/c15-11(4-2-1-3-5-11)8-12-6-10-7-13-9-14-10/h7,9,12,15H,1-6,8H2,(H,13,14)
InChIKeyAIJOIUIFJXUMIG-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.19
Rot. Bonds4

About 1-[(1H-imidazol-5-ylmethylamino)methyl]cyclohexan-1-ol

1-[(1H-imidazol-5-ylmethylamino)methyl]cyclohexan-1-ol (PubChem CID 63001182) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 1-[(1H-imidazol-5-ylmethylamino)methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[(1H-imidazol-5-ylmethylamino)methyl]cyclohexan-1-ol
PubChem CID63001182
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name1-[(1H-imidazol-5-ylmethylamino)methyl]cyclohexan-1-ol
SMILESOC1(CNCc2cnc[nH]2)CCCCC1
InChIInChI=1S/C11H19N3O/c15-11(4-2-1-3-5-11)8-12-6-10-7-13-9-14-10/h7,9,12,15H,1-6,8H2,(H,13,14)
InChIKeyAIJOIUIFJXUMIG-UHFFFAOYSA-N
XLogP1.19
TPSA60.94 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(1H-imidazol-5-ylmethylamino)methyl]cyclohexan-1-ol?
The IUPAC name of 1-[(1H-imidazol-5-ylmethylamino)methyl]cyclohexan-1-ol (CID 63001182) is 1-[(1H-imidazol-5-ylmethylamino)methyl]cyclohexan-1-ol.
What is the SMILES notation for 1-[(1H-imidazol-5-ylmethylamino)methyl]cyclohexan-1-ol?
The canonical SMILES for 1-[(1H-imidazol-5-ylmethylamino)methyl]cyclohexan-1-ol is OC1(CNCc2cnc[nH]2)CCCCC1.
What is the InChIKey of 1-[(1H-imidazol-5-ylmethylamino)methyl]cyclohexan-1-ol?
The InChIKey is AIJOIUIFJXUMIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c15-11(4-2-1-3-5-11)8-12-6-10-7-13-9-14-10/h7,9,12,15H,1-6,8H2,(H,13,14).
What are the key properties of 1-[(1H-imidazol-5-ylmethylamino)methyl]cyclohexan-1-ol?
1-[(1H-imidazol-5-ylmethylamino)methyl]cyclohexan-1-ol has a molecular weight of 209.29 g/mol, XLogP of 1.19, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1H-imidazol-5-ylmethylamino)methyl]cyclohexan-1-ol is sourced from PubChem (CID 63001182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).