3-[(5-methyl-1H-imidazol-4-yl)methylamino]cyclohexan-1-ol

C11H19N3O — CID 62741749

IUPAC3-[(5-methyl-1H-imidazol-4-yl)methylamino]cyclohexan-1-ol
SMILESCc1[nH]cnc1CNC1CCCC(O)C1
InChIInChI=1S/C11H19N3O/c1-8-11(14-7-13-8)6-12-9-3-2-4-10(15)5-9/h7,9-10,12,15H,2-6H2,1H3,(H,13,14)
InChIKeyNJZDCZAWDSVJNP-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.11
Rot. Bonds3

About 3-[(5-methyl-1H-imidazol-4-yl)methylamino]cyclohexan-1-ol

3-[(5-methyl-1H-imidazol-4-yl)methylamino]cyclohexan-1-ol (PubChem CID 62741749) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 3-[(5-methyl-1H-imidazol-4-yl)methylamino]cyclohexan-1-ol.

Molecular Properties

Compound Name3-[(5-methyl-1H-imidazol-4-yl)methylamino]cyclohexan-1-ol
PubChem CID62741749
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name3-[(5-methyl-1H-imidazol-4-yl)methylamino]cyclohexan-1-ol
SMILESCc1[nH]cnc1CNC1CCCC(O)C1
InChIInChI=1S/C11H19N3O/c1-8-11(14-7-13-8)6-12-9-3-2-4-10(15)5-9/h7,9-10,12,15H,2-6H2,1H3,(H,13,14)
InChIKeyNJZDCZAWDSVJNP-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 3-[(5-methyl-1H-imidazol-4-yl)methylamino]cyclohexan-1-ol?
The IUPAC name of 3-[(5-methyl-1H-imidazol-4-yl)methylamino]cyclohexan-1-ol (CID 62741749) is 3-[(5-methyl-1H-imidazol-4-yl)methylamino]cyclohexan-1-ol.
What is the SMILES notation for 3-[(5-methyl-1H-imidazol-4-yl)methylamino]cyclohexan-1-ol?
The canonical SMILES for 3-[(5-methyl-1H-imidazol-4-yl)methylamino]cyclohexan-1-ol is Cc1[nH]cnc1CNC1CCCC(O)C1.
What is the InChIKey of 3-[(5-methyl-1H-imidazol-4-yl)methylamino]cyclohexan-1-ol?
The InChIKey is NJZDCZAWDSVJNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-8-11(14-7-13-8)6-12-9-3-2-4-10(15)5-9/h7,9-10,12,15H,2-6H2,1H3,(H,13,14).
What are the key properties of 3-[(5-methyl-1H-imidazol-4-yl)methylamino]cyclohexan-1-ol?
3-[(5-methyl-1H-imidazol-4-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 3-[(5-methyl-1H-imidazol-4-yl)methylamino]cyclohexan-1-ol is sourced from PubChem (CID 62741749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).