1-ethyl-3-[3-(ethylamino)propyl]imidazol-2-one

C10H19N3O — CID 80580296

IUPAC1-ethyl-3-[3-(ethylamino)propyl]imidazol-2-one
SMILESCCNCCCn1ccn(CC)c1=O
InChIInChI=1S/C10H19N3O/c1-3-11-6-5-7-13-9-8-12(4-2)10(13)14/h8-9,11H,3-7H2,1-2H3
InChIKeyNVRLZSGCOQKGAG-UHFFFAOYSA-N
MW197.28 g/mol
LogP0.67
Rot. Bonds6

About 1-ethyl-3-[3-(ethylamino)propyl]imidazol-2-one

1-ethyl-3-[3-(ethylamino)propyl]imidazol-2-one (PubChem CID 80580296) has the molecular formula C10H19N3O and a molecular weight of 197.28 g/mol. Its IUPAC name is 1-ethyl-3-[3-(ethylamino)propyl]imidazol-2-one.

Molecular Properties

Compound Name1-ethyl-3-[3-(ethylamino)propyl]imidazol-2-one
PubChem CID80580296
Molecular FormulaC10H19N3O
Molecular Weight197.28 g/mol
Exact Mass197.15
IUPAC Name1-ethyl-3-[3-(ethylamino)propyl]imidazol-2-one
SMILESCCNCCCn1ccn(CC)c1=O
InChIInChI=1S/C10H19N3O/c1-3-11-6-5-7-13-9-8-12(4-2)10(13)14/h8-9,11H,3-7H2,1-2H3
InChIKeyNVRLZSGCOQKGAG-UHFFFAOYSA-N
XLogP0.67
TPSA38.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 50.67
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-Propyl-3-[2-(2,2,2-trifluoroethylamino)ethyl]imidazol-2-one
CID 80582357
1-propyl-1,3-dihydro-2H-imidazol-2-one
CID 15242001
3-butyl-1H-imidazol-2-one
CID 15242003
1,1-Bis(ethenyl)-1,3-diazinan-1-ium-2-one
CID 21325580
3-(3-aminopropyl)-1H-imidazol-2-one
CID 45156757
1,3-Dipropyl-4-(propylamino)imidazol-2-one
CID 53703800
3-[3-(ethylamino)propyl]-4-hydroxy-1H-imidazol-2-one
CID 54543691
1-Ethenyl-3-propylurea
CID 55286825
1-[[N-ethyl-(N-methyl)amino]carbonyl]-3-methyl-1H-imidazolium iodide
CID 66930492
3-(3-prop-2-enyl-2H-imidazol-1-yl)propylurea
CID 68556614
3,3-diethyl-1H-imidazol-3-ium-2-one
CID 69577342
3-pentyl-1H-imidazol-2-one
CID 70485414

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[3-(ethylamino)propyl]imidazol-2-one?
The IUPAC name of 1-ethyl-3-[3-(ethylamino)propyl]imidazol-2-one (CID 80580296) is 1-ethyl-3-[3-(ethylamino)propyl]imidazol-2-one.
What is the SMILES notation for 1-ethyl-3-[3-(ethylamino)propyl]imidazol-2-one?
The canonical SMILES for 1-ethyl-3-[3-(ethylamino)propyl]imidazol-2-one is CCNCCCn1ccn(CC)c1=O.
What is the InChIKey of 1-ethyl-3-[3-(ethylamino)propyl]imidazol-2-one?
The InChIKey is NVRLZSGCOQKGAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O/c1-3-11-6-5-7-13-9-8-12(4-2)10(13)14/h8-9,11H,3-7H2,1-2H3.
What are the key properties of 1-ethyl-3-[3-(ethylamino)propyl]imidazol-2-one?
1-ethyl-3-[3-(ethylamino)propyl]imidazol-2-one has a molecular weight of 197.28 g/mol, XLogP of 0.67, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[3-(ethylamino)propyl]imidazol-2-one is sourced from PubChem (CID 80580296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).