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

C9H17N3O — CID 80580236

IUPAC1-[2-(ethylamino)propyl]-3-methylimidazol-2-one
SMILESCCNC(C)Cn1ccn(C)c1=O
InChIInChI=1S/C9H17N3O/c1-4-10-8(2)7-12-6-5-11(3)9(12)13/h5-6,8,10H,4,7H2,1-3H3
InChIKeyXQVNOABMZRPOPP-UHFFFAOYSA-N
MW183.25 g/mol
LogP0.18
Rot. Bonds4

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

1-[2-(ethylamino)propyl]-3-methylimidazol-2-one (PubChem CID 80580236) has the molecular formula C9H17N3O and a molecular weight of 183.25 g/mol. Its IUPAC name is 1-[2-(ethylamino)propyl]-3-methylimidazol-2-one.

Molecular Properties

Compound Name1-[2-(ethylamino)propyl]-3-methylimidazol-2-one
PubChem CID80580236
Molecular FormulaC9H17N3O
Molecular Weight183.25 g/mol
Exact Mass183.14
IUPAC Name1-[2-(ethylamino)propyl]-3-methylimidazol-2-one
SMILESCCNC(C)Cn1ccn(C)c1=O
InChIInChI=1S/C9H17N3O/c1-4-10-8(2)7-12-6-5-11(3)9(12)13/h5-6,8,10H,4,7H2,1-3H3
InChIKeyXQVNOABMZRPOPP-UHFFFAOYSA-N
XLogP0.18
TPSA38.96 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(ethylamino)propyl]-3-methylimidazol-2-one?
The IUPAC name of 1-[2-(ethylamino)propyl]-3-methylimidazol-2-one (CID 80580236) is 1-[2-(ethylamino)propyl]-3-methylimidazol-2-one.
What is the SMILES notation for 1-[2-(ethylamino)propyl]-3-methylimidazol-2-one?
The canonical SMILES for 1-[2-(ethylamino)propyl]-3-methylimidazol-2-one is CCNC(C)Cn1ccn(C)c1=O.
What is the InChIKey of 1-[2-(ethylamino)propyl]-3-methylimidazol-2-one?
The InChIKey is XQVNOABMZRPOPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O/c1-4-10-8(2)7-12-6-5-11(3)9(12)13/h5-6,8,10H,4,7H2,1-3H3.
What are the key properties of 1-[2-(ethylamino)propyl]-3-methylimidazol-2-one?
1-[2-(ethylamino)propyl]-3-methylimidazol-2-one has a molecular weight of 183.25 g/mol, XLogP of 0.18, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(ethylamino)propyl]-3-methylimidazol-2-one is sourced from PubChem (CID 80580236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).