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

C11H19N3O — CID 64929108

IUPAC2-[(1H-imidazol-5-ylmethylamino)methyl]cyclohexan-1-ol
SMILESOC1CCCCC1CNCc1cnc[nH]1
InChIInChI=1S/C11H19N3O/c15-11-4-2-1-3-9(11)5-12-6-10-7-13-8-14-10/h7-9,11-12,15H,1-6H2,(H,13,14)
InChIKeyXHHUIFRTANCRDC-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.05
Rot. Bonds4

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

2-[(1H-imidazol-5-ylmethylamino)methyl]cyclohexan-1-ol (PubChem CID 64929108) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 2-[(1H-imidazol-5-ylmethylamino)methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[(1H-imidazol-5-ylmethylamino)methyl]cyclohexan-1-ol
PubChem CID64929108
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name2-[(1H-imidazol-5-ylmethylamino)methyl]cyclohexan-1-ol
SMILESOC1CCCCC1CNCc1cnc[nH]1
InChIInChI=1S/C11H19N3O/c15-11-4-2-1-3-9(11)5-12-6-10-7-13-8-14-10/h7-9,11-12,15H,1-6H2,(H,13,14)
InChIKeyXHHUIFRTANCRDC-UHFFFAOYSA-N
XLogP1.05
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 ≤ 51.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(1H-imidazol-5-ylmethylamino)methyl]cyclohexan-1-ol?
The IUPAC name of 2-[(1H-imidazol-5-ylmethylamino)methyl]cyclohexan-1-ol (CID 64929108) is 2-[(1H-imidazol-5-ylmethylamino)methyl]cyclohexan-1-ol.
What is the SMILES notation for 2-[(1H-imidazol-5-ylmethylamino)methyl]cyclohexan-1-ol?
The canonical SMILES for 2-[(1H-imidazol-5-ylmethylamino)methyl]cyclohexan-1-ol is OC1CCCCC1CNCc1cnc[nH]1.
What is the InChIKey of 2-[(1H-imidazol-5-ylmethylamino)methyl]cyclohexan-1-ol?
The InChIKey is XHHUIFRTANCRDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c15-11-4-2-1-3-9(11)5-12-6-10-7-13-8-14-10/h7-9,11-12,15H,1-6H2,(H,13,14).
What are the key properties of 2-[(1H-imidazol-5-ylmethylamino)methyl]cyclohexan-1-ol?
2-[(1H-imidazol-5-ylmethylamino)methyl]cyclohexan-1-ol has a molecular weight of 209.29 g/mol, XLogP of 1.05, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1H-imidazol-5-ylmethylamino)methyl]cyclohexan-1-ol is sourced from PubChem (CID 64929108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).