1-[2-(ethylamino)butyl]-3-methylimidazol-2-one

C10H19N3O — CID 80580386

IUPAC1-[2-(ethylamino)butyl]-3-methylimidazol-2-one
SMILESCCNC(CC)Cn1ccn(C)c1=O
InChIInChI=1S/C10H19N3O/c1-4-9(11-5-2)8-13-7-6-12(3)10(13)14/h6-7,9,11H,4-5,8H2,1-3H3
InChIKeyIVIQSNTULOEMDS-UHFFFAOYSA-N
MW197.28 g/mol
LogP0.57
Rot. Bonds5

About 1-[2-(ethylamino)butyl]-3-methylimidazol-2-one

1-[2-(ethylamino)butyl]-3-methylimidazol-2-one (PubChem CID 80580386) has the molecular formula C10H19N3O and a molecular weight of 197.28 g/mol. Its IUPAC name is 1-[2-(ethylamino)butyl]-3-methylimidazol-2-one.

Molecular Properties

Compound Name1-[2-(ethylamino)butyl]-3-methylimidazol-2-one
PubChem CID80580386
Molecular FormulaC10H19N3O
Molecular Weight197.28 g/mol
Exact Mass197.15
IUPAC Name1-[2-(ethylamino)butyl]-3-methylimidazol-2-one
SMILESCCNC(CC)Cn1ccn(C)c1=O
InChIInChI=1S/C10H19N3O/c1-4-9(11-5-2)8-13-7-6-12(3)10(13)14/h6-7,9,11H,4-5,8H2,1-3H3
InChIKeyIVIQSNTULOEMDS-UHFFFAOYSA-N
XLogP0.57
TPSA38.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(ethylamino)butyl]-3-methylimidazol-2-one?
The IUPAC name of 1-[2-(ethylamino)butyl]-3-methylimidazol-2-one (CID 80580386) is 1-[2-(ethylamino)butyl]-3-methylimidazol-2-one.
What is the SMILES notation for 1-[2-(ethylamino)butyl]-3-methylimidazol-2-one?
The canonical SMILES for 1-[2-(ethylamino)butyl]-3-methylimidazol-2-one is CCNC(CC)Cn1ccn(C)c1=O.
What is the InChIKey of 1-[2-(ethylamino)butyl]-3-methylimidazol-2-one?
The InChIKey is IVIQSNTULOEMDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O/c1-4-9(11-5-2)8-13-7-6-12(3)10(13)14/h6-7,9,11H,4-5,8H2,1-3H3.
What are the key properties of 1-[2-(ethylamino)butyl]-3-methylimidazol-2-one?
1-[2-(ethylamino)butyl]-3-methylimidazol-2-one has a molecular weight of 197.28 g/mol, XLogP of 0.57, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(ethylamino)butyl]-3-methylimidazol-2-one is sourced from PubChem (CID 80580386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).