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

C9H17N3O — CID 80579637

IUPAC1-(3-aminopropyl)-3-propylimidazol-2-one
SMILESCCCn1ccn(CCCN)c1=O
InChIInChI=1S/C9H17N3O/c1-2-5-11-7-8-12(9(11)13)6-3-4-10/h7-8H,2-6,10H2,1H3
InChIKeyRGAICRREEGRTMN-UHFFFAOYSA-N
MW183.25 g/mol
LogP0.41
Rot. Bonds5

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

1-(3-aminopropyl)-3-propylimidazol-2-one (PubChem CID 80579637) has the molecular formula C9H17N3O and a molecular weight of 183.25 g/mol. Its IUPAC name is 1-(3-aminopropyl)-3-propylimidazol-2-one.

Molecular Properties

Compound Name1-(3-aminopropyl)-3-propylimidazol-2-one
PubChem CID80579637
Molecular FormulaC9H17N3O
Molecular Weight183.25 g/mol
Exact Mass183.14
IUPAC Name1-(3-aminopropyl)-3-propylimidazol-2-one
SMILESCCCn1ccn(CCCN)c1=O
InChIInChI=1S/C9H17N3O/c1-2-5-11-7-8-12(9(11)13)6-3-4-10/h7-8H,2-6,10H2,1H3
InChIKeyRGAICRREEGRTMN-UHFFFAOYSA-N
XLogP0.41
TPSA52.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1,3-Dibutylimidazol-2-one
CID 152141803
1-[2-(Aminomethyl)-3,3,3-trifluoropropyl]-3-ethylimidazol-2-one
CID 103366626
1-[2-(Aminomethyl)-3,3,3-trifluoropropyl]-3-methylimidazol-2-one
CID 103366627
1-[2-(Aminomethyl)-3,3,3-trifluoropropyl]-3-propylimidazol-2-one
CID 103366628
1-propyl-1,3-dihydro-2H-imidazol-2-one
CID 15242001
3-butyl-1H-imidazol-2-one
CID 15242003
1-Ethyl-3-propylimidazol-2-one
CID 20597783
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
1-Ethenyl-3-propylurea
CID 55286825
1-Butyl-3-ethylimidazol-2-one
CID 58664400

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminopropyl)-3-propylimidazol-2-one?
The IUPAC name of 1-(3-aminopropyl)-3-propylimidazol-2-one (CID 80579637) is 1-(3-aminopropyl)-3-propylimidazol-2-one.
What is the SMILES notation for 1-(3-aminopropyl)-3-propylimidazol-2-one?
The canonical SMILES for 1-(3-aminopropyl)-3-propylimidazol-2-one is CCCn1ccn(CCCN)c1=O.
What is the InChIKey of 1-(3-aminopropyl)-3-propylimidazol-2-one?
The InChIKey is RGAICRREEGRTMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O/c1-2-5-11-7-8-12(9(11)13)6-3-4-10/h7-8H,2-6,10H2,1H3.
What are the key properties of 1-(3-aminopropyl)-3-propylimidazol-2-one?
1-(3-aminopropyl)-3-propylimidazol-2-one has a molecular weight of 183.25 g/mol, XLogP of 0.41, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminopropyl)-3-propylimidazol-2-one is sourced from PubChem (CID 80579637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).