[1-[[(2-methyl-1H-imidazol-5-yl)methylamino]methyl]cyclohexyl]methanol

C13H23N3O — CID 112697644

IUPAC[1-[[(2-methyl-1H-imidazol-5-yl)methylamino]methyl]cyclohexyl]methanol
SMILESCc1ncc(CNCC2(CO)CCCCC2)[nH]1
InChIInChI=1S/C13H23N3O/c1-11-15-8-12(16-11)7-14-9-13(10-17)5-3-2-4-6-13/h8,14,17H,2-7,9-10H2,1H3,(H,15,16)
InChIKeyWFROVLIDXZDBAU-UHFFFAOYSA-N
MW237.35 g/mol
LogP1.75
Rot. Bonds5

About [1-[[(2-methyl-1H-imidazol-5-yl)methylamino]methyl]cyclohexyl]methanol

[1-[[(2-methyl-1H-imidazol-5-yl)methylamino]methyl]cyclohexyl]methanol (PubChem CID 112697644) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is [1-[[(2-methyl-1H-imidazol-5-yl)methylamino]methyl]cyclohexyl]methanol.

Molecular Properties

Compound Name[1-[[(2-methyl-1H-imidazol-5-yl)methylamino]methyl]cyclohexyl]methanol
PubChem CID112697644
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name[1-[[(2-methyl-1H-imidazol-5-yl)methylamino]methyl]cyclohexyl]methanol
SMILESCc1ncc(CNCC2(CO)CCCCC2)[nH]1
InChIInChI=1S/C13H23N3O/c1-11-15-8-12(16-11)7-14-9-13(10-17)5-3-2-4-6-13/h8,14,17H,2-7,9-10H2,1H3,(H,15,16)
InChIKeyWFROVLIDXZDBAU-UHFFFAOYSA-N
XLogP1.75
TPSA60.94 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 51.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze [1-[[(2-methyl-1H-imidazol-5-yl)methylamino]methyl]cyclohexyl]methanol with MolForge

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Related Compounds

N-[(1-methylcyclopentyl)methyl]-1-(2-methyl-1H-imidazol-5-yl)methanamine
CID 63821996
N,N-dimethyl-1-[[(2-methyl-1H-imidazol-5-yl)methylamino]methyl]cyclopentan-1-amine
CID 78920904
4-[[(2-methyl-1H-imidazol-5-yl)methylamino]methyl]oxan-4-ol
CID 78929055
N-[[1-(hydroxymethyl)cyclohexyl]methyl]-2-methyl-1H-imidazole-5-sulfonamide
CID 112551405
[1-[[(3-methyltriazol-4-yl)methylamino]methyl]cyclohexyl]methanol
CID 115683848
[1-[[(4-methylphenyl)methylamino]methyl]cyclopentyl]methanol
CID 113293545
2-[(2-methyl-1H-imidazol-5-yl)methylamino]propane-1,3-diol
CID 65312594
5-[(2-methyl-1H-imidazol-5-yl)methylamino]pentan-1-ol
CID 107302918
2-[(2-methyl-1H-imidazol-5-yl)methylamino]propanoic acid
CID 62743108
[1-[[(2,4-dimethyl-1,3-thiazol-5-yl)methylamino]methyl]cyclohexyl]methanol
CID 112697676
[1-[[(3-ethylimidazol-4-yl)methylamino]methyl]cyclohexyl]methanol
CID 103965802
[1-[[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]methyl]cyclohexyl]methanol
CID 103966545

Frequently Asked Questions

What is the IUPAC name of [1-[[(2-methyl-1H-imidazol-5-yl)methylamino]methyl]cyclohexyl]methanol?
The IUPAC name of [1-[[(2-methyl-1H-imidazol-5-yl)methylamino]methyl]cyclohexyl]methanol (CID 112697644) is [1-[[(2-methyl-1H-imidazol-5-yl)methylamino]methyl]cyclohexyl]methanol.
What is the SMILES notation for [1-[[(2-methyl-1H-imidazol-5-yl)methylamino]methyl]cyclohexyl]methanol?
The canonical SMILES for [1-[[(2-methyl-1H-imidazol-5-yl)methylamino]methyl]cyclohexyl]methanol is Cc1ncc(CNCC2(CO)CCCCC2)[nH]1.
What is the InChIKey of [1-[[(2-methyl-1H-imidazol-5-yl)methylamino]methyl]cyclohexyl]methanol?
The InChIKey is WFROVLIDXZDBAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-11-15-8-12(16-11)7-14-9-13(10-17)5-3-2-4-6-13/h8,14,17H,2-7,9-10H2,1H3,(H,15,16).
What are the key properties of [1-[[(2-methyl-1H-imidazol-5-yl)methylamino]methyl]cyclohexyl]methanol?
[1-[[(2-methyl-1H-imidazol-5-yl)methylamino]methyl]cyclohexyl]methanol has a molecular weight of 237.35 g/mol, XLogP of 1.75, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[(2-methyl-1H-imidazol-5-yl)methylamino]methyl]cyclohexyl]methanol is sourced from PubChem (CID 112697644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).