[2-[[(3-methylimidazol-4-yl)methylamino]methyl]cyclohexyl]methanol

C13H23N3O — CID 66119184

IUPAC[2-[[(3-methylimidazol-4-yl)methylamino]methyl]cyclohexyl]methanol
SMILESCn1cncc1CNCC1CCCCC1CO
InChIInChI=1S/C13H23N3O/c1-16-10-15-8-13(16)7-14-6-11-4-2-3-5-12(11)9-17/h8,10-12,14,17H,2-7,9H2,1H3
InChIKeyXFXVONJYISRCAM-UHFFFAOYSA-N
MW237.35 g/mol
LogP1.31
Rot. Bonds5

About [2-[[(3-methylimidazol-4-yl)methylamino]methyl]cyclohexyl]methanol

[2-[[(3-methylimidazol-4-yl)methylamino]methyl]cyclohexyl]methanol (PubChem CID 66119184) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is [2-[[(3-methylimidazol-4-yl)methylamino]methyl]cyclohexyl]methanol.

Molecular Properties

Compound Name[2-[[(3-methylimidazol-4-yl)methylamino]methyl]cyclohexyl]methanol
PubChem CID66119184
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name[2-[[(3-methylimidazol-4-yl)methylamino]methyl]cyclohexyl]methanol
SMILESCn1cncc1CNCC1CCCCC1CO
InChIInChI=1S/C13H23N3O/c1-16-10-15-8-13(16)7-14-6-11-4-2-3-5-12(11)9-17/h8,10-12,14,17H,2-7,9H2,1H3
InChIKeyXFXVONJYISRCAM-UHFFFAOYSA-N
XLogP1.31
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-[[(3-methylimidazol-4-yl)methylamino]methyl]cyclohexyl]methanol?
The IUPAC name of [2-[[(3-methylimidazol-4-yl)methylamino]methyl]cyclohexyl]methanol (CID 66119184) is [2-[[(3-methylimidazol-4-yl)methylamino]methyl]cyclohexyl]methanol.
What is the SMILES notation for [2-[[(3-methylimidazol-4-yl)methylamino]methyl]cyclohexyl]methanol?
The canonical SMILES for [2-[[(3-methylimidazol-4-yl)methylamino]methyl]cyclohexyl]methanol is Cn1cncc1CNCC1CCCCC1CO.
What is the InChIKey of [2-[[(3-methylimidazol-4-yl)methylamino]methyl]cyclohexyl]methanol?
The InChIKey is XFXVONJYISRCAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-16-10-15-8-13(16)7-14-6-11-4-2-3-5-12(11)9-17/h8,10-12,14,17H,2-7,9H2,1H3.
What are the key properties of [2-[[(3-methylimidazol-4-yl)methylamino]methyl]cyclohexyl]methanol?
[2-[[(3-methylimidazol-4-yl)methylamino]methyl]cyclohexyl]methanol has a molecular weight of 237.35 g/mol, XLogP of 1.31, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[(3-methylimidazol-4-yl)methylamino]methyl]cyclohexyl]methanol is sourced from PubChem (CID 66119184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).