2-(cyclohexylamino)-2-(3-ethylimidazol-4-yl)ethanol

C13H23N3O — CID 66134135

IUPAC2-(cyclohexylamino)-2-(3-ethylimidazol-4-yl)ethanol
SMILESCCn1cncc1C(CO)NC1CCCCC1
InChIInChI=1S/C13H23N3O/c1-2-16-10-14-8-13(16)12(9-17)15-11-6-4-3-5-7-11/h8,10-12,15,17H,2-7,9H2,1H3
InChIKeyWYPNGUIRHPGNCF-UHFFFAOYSA-N
MW237.35 g/mol
LogP1.86
Rot. Bonds5

About 2-(cyclohexylamino)-2-(3-ethylimidazol-4-yl)ethanol

2-(cyclohexylamino)-2-(3-ethylimidazol-4-yl)ethanol (PubChem CID 66134135) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 2-(cyclohexylamino)-2-(3-ethylimidazol-4-yl)ethanol.

Molecular Properties

Compound Name2-(cyclohexylamino)-2-(3-ethylimidazol-4-yl)ethanol
PubChem CID66134135
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name2-(cyclohexylamino)-2-(3-ethylimidazol-4-yl)ethanol
SMILESCCn1cncc1C(CO)NC1CCCCC1
InChIInChI=1S/C13H23N3O/c1-2-16-10-14-8-13(16)12(9-17)15-11-6-4-3-5-7-11/h8,10-12,15,17H,2-7,9H2,1H3
InChIKeyWYPNGUIRHPGNCF-UHFFFAOYSA-N
XLogP1.86
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 ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylamino)-2-(3-ethylimidazol-4-yl)ethanol?
The IUPAC name of 2-(cyclohexylamino)-2-(3-ethylimidazol-4-yl)ethanol (CID 66134135) is 2-(cyclohexylamino)-2-(3-ethylimidazol-4-yl)ethanol.
What is the SMILES notation for 2-(cyclohexylamino)-2-(3-ethylimidazol-4-yl)ethanol?
The canonical SMILES for 2-(cyclohexylamino)-2-(3-ethylimidazol-4-yl)ethanol is CCn1cncc1C(CO)NC1CCCCC1.
What is the InChIKey of 2-(cyclohexylamino)-2-(3-ethylimidazol-4-yl)ethanol?
The InChIKey is WYPNGUIRHPGNCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-2-16-10-14-8-13(16)12(9-17)15-11-6-4-3-5-7-11/h8,10-12,15,17H,2-7,9H2,1H3.
What are the key properties of 2-(cyclohexylamino)-2-(3-ethylimidazol-4-yl)ethanol?
2-(cyclohexylamino)-2-(3-ethylimidazol-4-yl)ethanol has a molecular weight of 237.35 g/mol, XLogP of 1.86, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylamino)-2-(3-ethylimidazol-4-yl)ethanol is sourced from PubChem (CID 66134135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).