[2-[1-(1-methylimidazol-2-yl)ethylamino]cyclohexyl]methanol

C13H23N3O — CID 103914086

IUPAC[2-[1-(1-methylimidazol-2-yl)ethylamino]cyclohexyl]methanol
SMILESCC(NC1CCCCC1CO)c1nccn1C
InChIInChI=1S/C13H23N3O/c1-10(13-14-7-8-16(13)2)15-12-6-4-3-5-11(12)9-17/h7-8,10-12,15,17H,3-6,9H2,1-2H3
InChIKeyKLYIAOXXPCFKSX-UHFFFAOYSA-N
MW237.35 g/mol
LogP1.62
Rot. Bonds4

About [2-[1-(1-methylimidazol-2-yl)ethylamino]cyclohexyl]methanol

[2-[1-(1-methylimidazol-2-yl)ethylamino]cyclohexyl]methanol (PubChem CID 103914086) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is [2-[1-(1-methylimidazol-2-yl)ethylamino]cyclohexyl]methanol.

Molecular Properties

Compound Name[2-[1-(1-methylimidazol-2-yl)ethylamino]cyclohexyl]methanol
PubChem CID103914086
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name[2-[1-(1-methylimidazol-2-yl)ethylamino]cyclohexyl]methanol
SMILESCC(NC1CCCCC1CO)c1nccn1C
InChIInChI=1S/C13H23N3O/c1-10(13-14-7-8-16(13)2)15-12-6-4-3-5-11(12)9-17/h7-8,10-12,15,17H,3-6,9H2,1-2H3
InChIKeyKLYIAOXXPCFKSX-UHFFFAOYSA-N
XLogP1.62
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-[1-(1-methylimidazol-2-yl)ethylamino]cyclohexyl]methanol?
The IUPAC name of [2-[1-(1-methylimidazol-2-yl)ethylamino]cyclohexyl]methanol (CID 103914086) is [2-[1-(1-methylimidazol-2-yl)ethylamino]cyclohexyl]methanol.
What is the SMILES notation for [2-[1-(1-methylimidazol-2-yl)ethylamino]cyclohexyl]methanol?
The canonical SMILES for [2-[1-(1-methylimidazol-2-yl)ethylamino]cyclohexyl]methanol is CC(NC1CCCCC1CO)c1nccn1C.
What is the InChIKey of [2-[1-(1-methylimidazol-2-yl)ethylamino]cyclohexyl]methanol?
The InChIKey is KLYIAOXXPCFKSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-10(13-14-7-8-16(13)2)15-12-6-4-3-5-11(12)9-17/h7-8,10-12,15,17H,3-6,9H2,1-2H3.
What are the key properties of [2-[1-(1-methylimidazol-2-yl)ethylamino]cyclohexyl]methanol?
[2-[1-(1-methylimidazol-2-yl)ethylamino]cyclohexyl]methanol has a molecular weight of 237.35 g/mol, XLogP of 1.62, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[1-(1-methylimidazol-2-yl)ethylamino]cyclohexyl]methanol is sourced from PubChem (CID 103914086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).