2-[(2-methyl-1H-imidazol-5-yl)methylamino]cyclohexan-1-ol

C11H19N3O — CID 62741263

IUPAC2-[(2-methyl-1H-imidazol-5-yl)methylamino]cyclohexan-1-ol
SMILESCc1ncc(CNC2CCCCC2O)[nH]1
InChIInChI=1S/C11H19N3O/c1-8-12-6-9(14-8)7-13-10-4-2-3-5-11(10)15/h6,10-11,13,15H,2-5,7H2,1H3,(H,12,14)
InChIKeyLBYXTHCOEKOQNW-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.11
Rot. Bonds3

About 2-[(2-methyl-1H-imidazol-5-yl)methylamino]cyclohexan-1-ol

2-[(2-methyl-1H-imidazol-5-yl)methylamino]cyclohexan-1-ol (PubChem CID 62741263) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 2-[(2-methyl-1H-imidazol-5-yl)methylamino]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[(2-methyl-1H-imidazol-5-yl)methylamino]cyclohexan-1-ol
PubChem CID62741263
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name2-[(2-methyl-1H-imidazol-5-yl)methylamino]cyclohexan-1-ol
SMILESCc1ncc(CNC2CCCCC2O)[nH]1
InChIInChI=1S/C11H19N3O/c1-8-12-6-9(14-8)7-13-10-4-2-3-5-11(10)15/h6,10-11,13,15H,2-5,7H2,1H3,(H,12,14)
InChIKeyLBYXTHCOEKOQNW-UHFFFAOYSA-N
XLogP1.11
TPSA60.94 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-methyl-1H-imidazol-5-yl)methylamino]cyclohexan-1-ol?
The IUPAC name of 2-[(2-methyl-1H-imidazol-5-yl)methylamino]cyclohexan-1-ol (CID 62741263) is 2-[(2-methyl-1H-imidazol-5-yl)methylamino]cyclohexan-1-ol.
What is the SMILES notation for 2-[(2-methyl-1H-imidazol-5-yl)methylamino]cyclohexan-1-ol?
The canonical SMILES for 2-[(2-methyl-1H-imidazol-5-yl)methylamino]cyclohexan-1-ol is Cc1ncc(CNC2CCCCC2O)[nH]1.
What is the InChIKey of 2-[(2-methyl-1H-imidazol-5-yl)methylamino]cyclohexan-1-ol?
The InChIKey is LBYXTHCOEKOQNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-8-12-6-9(14-8)7-13-10-4-2-3-5-11(10)15/h6,10-11,13,15H,2-5,7H2,1H3,(H,12,14).
What are the key properties of 2-[(2-methyl-1H-imidazol-5-yl)methylamino]cyclohexan-1-ol?
2-[(2-methyl-1H-imidazol-5-yl)methylamino]cyclohexan-1-ol has a molecular weight of 209.29 g/mol, XLogP of 1.11, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methyl-1H-imidazol-5-yl)methylamino]cyclohexan-1-ol is sourced from PubChem (CID 62741263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).