1-[2-[2-(dimethylamino)ethylamino]ethyl]-3-propylimidazol-2-one

C12H24N4O — CID 80582362

IUPAC1-[2-[2-(dimethylamino)ethylamino]ethyl]-3-propylimidazol-2-one
SMILESCCCn1ccn(CCNCCN(C)C)c1=O
InChIInChI=1S/C12H24N4O/c1-4-7-15-10-11-16(12(15)17)9-6-13-5-8-14(2)3/h10-11,13H,4-9H2,1-3H3
InChIKeyFAWHBTYOAAXJHD-UHFFFAOYSA-N
MW240.35 g/mol
LogP0.21
Rot. Bonds8

About 1-[2-[2-(dimethylamino)ethylamino]ethyl]-3-propylimidazol-2-one

1-[2-[2-(dimethylamino)ethylamino]ethyl]-3-propylimidazol-2-one (PubChem CID 80582362) has the molecular formula C12H24N4O and a molecular weight of 240.35 g/mol. Its IUPAC name is 1-[2-[2-(dimethylamino)ethylamino]ethyl]-3-propylimidazol-2-one.

Molecular Properties

Compound Name1-[2-[2-(dimethylamino)ethylamino]ethyl]-3-propylimidazol-2-one
PubChem CID80582362
Molecular FormulaC12H24N4O
Molecular Weight240.35 g/mol
Exact Mass240.20
IUPAC Name1-[2-[2-(dimethylamino)ethylamino]ethyl]-3-propylimidazol-2-one
SMILESCCCn1ccn(CCNCCN(C)C)c1=O
InChIInChI=1S/C12H24N4O/c1-4-7-15-10-11-16(12(15)17)9-6-13-5-8-14(2)3/h10-11,13H,4-9H2,1-3H3
InChIKeyFAWHBTYOAAXJHD-UHFFFAOYSA-N
XLogP0.21
TPSA42.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-(dimethylamino)ethylamino]ethyl]-3-propylimidazol-2-one?
The IUPAC name of 1-[2-[2-(dimethylamino)ethylamino]ethyl]-3-propylimidazol-2-one (CID 80582362) is 1-[2-[2-(dimethylamino)ethylamino]ethyl]-3-propylimidazol-2-one.
What is the SMILES notation for 1-[2-[2-(dimethylamino)ethylamino]ethyl]-3-propylimidazol-2-one?
The canonical SMILES for 1-[2-[2-(dimethylamino)ethylamino]ethyl]-3-propylimidazol-2-one is CCCn1ccn(CCNCCN(C)C)c1=O.
What is the InChIKey of 1-[2-[2-(dimethylamino)ethylamino]ethyl]-3-propylimidazol-2-one?
The InChIKey is FAWHBTYOAAXJHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4O/c1-4-7-15-10-11-16(12(15)17)9-6-13-5-8-14(2)3/h10-11,13H,4-9H2,1-3H3.
What are the key properties of 1-[2-[2-(dimethylamino)ethylamino]ethyl]-3-propylimidazol-2-one?
1-[2-[2-(dimethylamino)ethylamino]ethyl]-3-propylimidazol-2-one has a molecular weight of 240.35 g/mol, XLogP of 0.21, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-(dimethylamino)ethylamino]ethyl]-3-propylimidazol-2-one is sourced from PubChem (CID 80582362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).