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

C7H13N3O — CID 80579709

IUPAC1-(3-aminopropyl)-3-methylimidazol-2-one
SMILESCn1ccn(CCCN)c1=O
InChIInChI=1S/C7H13N3O/c1-9-5-6-10(7(9)11)4-2-3-8/h5-6H,2-4,8H2,1H3
InChIKeyAQCBGNMCTHDXQF-UHFFFAOYSA-N
MW155.20 g/mol
LogP-0.46
Rot. Bonds3

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

1-(3-aminopropyl)-3-methylimidazol-2-one (PubChem CID 80579709) has the molecular formula C7H13N3O and a molecular weight of 155.20 g/mol. Its IUPAC name is 1-(3-aminopropyl)-3-methylimidazol-2-one.

Molecular Properties

Compound Name1-(3-aminopropyl)-3-methylimidazol-2-one
PubChem CID80579709
Molecular FormulaC7H13N3O
Molecular Weight155.20 g/mol
Exact Mass155.11
IUPAC Name1-(3-aminopropyl)-3-methylimidazol-2-one
SMILESCn1ccn(CCCN)c1=O
InChIInChI=1S/C7H13N3O/c1-9-5-6-10(7(9)11)4-2-3-8/h5-6H,2-4,8H2,1H3
InChIKeyAQCBGNMCTHDXQF-UHFFFAOYSA-N
XLogP-0.46
TPSA52.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 5-0.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Divinyl ethylurea
CID 87783514
3-(3-methyl-2H-imidazol-1-yl)propan-1-amine
CID 91409867
3-(1-fluorobutyl)-1H-imidazol-2-one
CID 69179192
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-ethyl-1,3-dihydro-2H-imidazol-2-one
CID 14065290
1-propyl-1,3-dihydro-2H-imidazol-2-one
CID 15242001
3-butyl-1H-imidazol-2-one
CID 15242003
1-Ethenyl-3-ethylurea
CID 20228036
1-Ethyl-3-propylimidazol-2-one
CID 20597783
1-Isopropyl-1,3-dihydro-2H-imidazol-2-one
CID 21037405
3-(3-aminopropyl)-1H-imidazol-2-one
CID 45156757

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminopropyl)-3-methylimidazol-2-one?
The IUPAC name of 1-(3-aminopropyl)-3-methylimidazol-2-one (CID 80579709) is 1-(3-aminopropyl)-3-methylimidazol-2-one.
What is the SMILES notation for 1-(3-aminopropyl)-3-methylimidazol-2-one?
The canonical SMILES for 1-(3-aminopropyl)-3-methylimidazol-2-one is Cn1ccn(CCCN)c1=O.
What is the InChIKey of 1-(3-aminopropyl)-3-methylimidazol-2-one?
The InChIKey is AQCBGNMCTHDXQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O/c1-9-5-6-10(7(9)11)4-2-3-8/h5-6H,2-4,8H2,1H3.
What are the key properties of 1-(3-aminopropyl)-3-methylimidazol-2-one?
1-(3-aminopropyl)-3-methylimidazol-2-one has a molecular weight of 155.20 g/mol, XLogP of -0.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminopropyl)-3-methylimidazol-2-one is sourced from PubChem (CID 80579709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).