1-[2-(cyclohexylmethylamino)ethyl]-3-ethylimidazol-2-one

C14H25N3O — CID 80582631

IUPAC1-[2-(cyclohexylmethylamino)ethyl]-3-ethylimidazol-2-one
SMILESCCn1ccn(CCNCC2CCCCC2)c1=O
InChIInChI=1S/C14H25N3O/c1-2-16-10-11-17(14(16)18)9-8-15-12-13-6-4-3-5-7-13/h10-11,13,15H,2-9,12H2,1H3
InChIKeyFBMCQUMAIBQNIQ-UHFFFAOYSA-N
MW251.37 g/mol
LogP1.84
Rot. Bonds6

About 1-[2-(cyclohexylmethylamino)ethyl]-3-ethylimidazol-2-one

1-[2-(cyclohexylmethylamino)ethyl]-3-ethylimidazol-2-one (PubChem CID 80582631) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is 1-[2-(cyclohexylmethylamino)ethyl]-3-ethylimidazol-2-one.

Molecular Properties

Compound Name1-[2-(cyclohexylmethylamino)ethyl]-3-ethylimidazol-2-one
PubChem CID80582631
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name1-[2-(cyclohexylmethylamino)ethyl]-3-ethylimidazol-2-one
SMILESCCn1ccn(CCNCC2CCCCC2)c1=O
InChIInChI=1S/C14H25N3O/c1-2-16-10-11-17(14(16)18)9-8-15-12-13-6-4-3-5-7-13/h10-11,13,15H,2-9,12H2,1H3
InChIKeyFBMCQUMAIBQNIQ-UHFFFAOYSA-N
XLogP1.84
TPSA38.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[2-(cyclohexylmethylamino)ethyl]-3-propylimidazol-2-one
CID 80582596
1-[2-(cyclopentylmethylamino)ethyl]-3-propylimidazol-2-one
CID 80582598
1-[3-(cyclohexylamino)propyl]-3-ethylimidazol-2-one
CID 80582495
3-[2-(cyclohexylmethylamino)ethyl]-1-methylpyrimidine-2,4-dione
CID 63810733
N-(cyclopentylmethyl)-2-(2-ethylimidazol-1-yl)ethanamine
CID 62567010
N-(cyclohexylmethyl)-2-(2-propan-2-ylimidazol-1-yl)ethanamine
CID 62562843
N-(cyclohexylmethyl)-2-(4-ethyl-4-methylpiperidin-1-yl)ethanamine
CID 55196456
1-ethyl-3-[2-(3-methylbutylamino)ethyl]imidazol-2-one
CID 80582606
1-ethyl-3-[2-(methylamino)ethyl]imidazol-2-one
CID 80580623
1-methyl-3-[2-(oxolan-3-ylmethylamino)ethyl]imidazol-2-one
CID 80582524
5-[2-(cyclohexylmethylamino)ethyl]thieno[3,2-c]pyridin-4-one
CID 115912100
N-(cyclopropylmethyl)-2-(3-ethyl-2-oxoimidazol-1-yl)acetamide
CID 116624363

Frequently Asked Questions

What is the IUPAC name of 1-[2-(cyclohexylmethylamino)ethyl]-3-ethylimidazol-2-one?
The IUPAC name of 1-[2-(cyclohexylmethylamino)ethyl]-3-ethylimidazol-2-one (CID 80582631) is 1-[2-(cyclohexylmethylamino)ethyl]-3-ethylimidazol-2-one.
What is the SMILES notation for 1-[2-(cyclohexylmethylamino)ethyl]-3-ethylimidazol-2-one?
The canonical SMILES for 1-[2-(cyclohexylmethylamino)ethyl]-3-ethylimidazol-2-one is CCn1ccn(CCNCC2CCCCC2)c1=O.
What is the InChIKey of 1-[2-(cyclohexylmethylamino)ethyl]-3-ethylimidazol-2-one?
The InChIKey is FBMCQUMAIBQNIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-2-16-10-11-17(14(16)18)9-8-15-12-13-6-4-3-5-7-13/h10-11,13,15H,2-9,12H2,1H3.
What are the key properties of 1-[2-(cyclohexylmethylamino)ethyl]-3-ethylimidazol-2-one?
1-[2-(cyclohexylmethylamino)ethyl]-3-ethylimidazol-2-one has a molecular weight of 251.37 g/mol, XLogP of 1.84, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(cyclohexylmethylamino)ethyl]-3-ethylimidazol-2-one is sourced from PubChem (CID 80582631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).