1-(3-aminopropyl)-3-ethylimidazol-2-one

C8H15N3O — CID 80579739

IUPAC1-(3-aminopropyl)-3-ethylimidazol-2-one
SMILESCCn1ccn(CCCN)c1=O
InChIInChI=1S/C8H15N3O/c1-2-10-6-7-11(8(10)12)5-3-4-9/h6-7H,2-5,9H2,1H3
InChIKeyBLWJMHUBLYPSPK-UHFFFAOYSA-N
MW169.23 g/mol
LogP0.02
Rot. Bonds4

About 1-(3-aminopropyl)-3-ethylimidazol-2-one

1-(3-aminopropyl)-3-ethylimidazol-2-one (PubChem CID 80579739) has the molecular formula C8H15N3O and a molecular weight of 169.23 g/mol. Its IUPAC name is 1-(3-aminopropyl)-3-ethylimidazol-2-one.

Molecular Properties

Compound Name1-(3-aminopropyl)-3-ethylimidazol-2-one
PubChem CID80579739
Molecular FormulaC8H15N3O
Molecular Weight169.23 g/mol
Exact Mass169.12
IUPAC Name1-(3-aminopropyl)-3-ethylimidazol-2-one
SMILESCCn1ccn(CCCN)c1=O
InChIInChI=1S/C8H15N3O/c1-2-10-6-7-11(8(10)12)5-3-4-9/h6-7H,2-5,9H2,1H3
InChIKeyBLWJMHUBLYPSPK-UHFFFAOYSA-N
XLogP0.02
TPSA52.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.23
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-aminopropyl)-3-ethylimidazol-2-one?
The IUPAC name of 1-(3-aminopropyl)-3-ethylimidazol-2-one (CID 80579739) is 1-(3-aminopropyl)-3-ethylimidazol-2-one.
What is the SMILES notation for 1-(3-aminopropyl)-3-ethylimidazol-2-one?
The canonical SMILES for 1-(3-aminopropyl)-3-ethylimidazol-2-one is CCn1ccn(CCCN)c1=O.
What is the InChIKey of 1-(3-aminopropyl)-3-ethylimidazol-2-one?
The InChIKey is BLWJMHUBLYPSPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O/c1-2-10-6-7-11(8(10)12)5-3-4-9/h6-7H,2-5,9H2,1H3.
What are the key properties of 1-(3-aminopropyl)-3-ethylimidazol-2-one?
1-(3-aminopropyl)-3-ethylimidazol-2-one has a molecular weight of 169.23 g/mol, XLogP of 0.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminopropyl)-3-ethylimidazol-2-one is sourced from PubChem (CID 80579739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).