4-(2-aminopropyl)-1,3-dimethylimidazol-2-one

C8H15N3O — CID 112712075

IUPAC4-(2-aminopropyl)-1,3-dimethylimidazol-2-one
SMILESCC(N)Cc1cn(C)c(=O)n1C
InChIInChI=1S/C8H15N3O/c1-6(9)4-7-5-10(2)8(12)11(7)3/h5-6H,4,9H2,1-3H3
InChIKeyKIHOUPKDRHSEGH-UHFFFAOYSA-N
MW169.23 g/mol
LogP-0.39
Rot. Bonds2

About 4-(2-aminopropyl)-1,3-dimethylimidazol-2-one

4-(2-aminopropyl)-1,3-dimethylimidazol-2-one (PubChem CID 112712075) has the molecular formula C8H15N3O and a molecular weight of 169.23 g/mol. Its IUPAC name is 4-(2-aminopropyl)-1,3-dimethylimidazol-2-one.

Molecular Properties

Compound Name4-(2-aminopropyl)-1,3-dimethylimidazol-2-one
PubChem CID112712075
Molecular FormulaC8H15N3O
Molecular Weight169.23 g/mol
Exact Mass169.12
IUPAC Name4-(2-aminopropyl)-1,3-dimethylimidazol-2-one
SMILESCC(N)Cc1cn(C)c(=O)n1C
InChIInChI=1S/C8H15N3O/c1-6(9)4-7-5-10(2)8(12)11(7)3/h5-6H,4,9H2,1-3H3
InChIKeyKIHOUPKDRHSEGH-UHFFFAOYSA-N
XLogP-0.39
TPSA52.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.23
LogP ≤ 5-0.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-ethyl-2,3-dihydro-1H-imidazol-2-one
CID 15567528
4-propyl-1H-imidazol-2(3H)-one
CID 15567529
2-(2-Oxo-4-imidazolin-4-yl)ethylamine
CID 150871
5-butyl-3-propan-2-yl-1H-imidazol-2-one
CID 18384891
4-(3-Aminopropyl)-1,3-dihydroimidazol-2-one
CID 11458001
4-Pentyl-1,3-dihydroimidazol-2-one
CID 14572723
1,4-Dibutylimidazol-2-one
CID 15405728
3,5-dipropyl-1H-imidazol-2-one
CID 18384147
3-butyl-5-(2-methylpropyl)-1H-imidazol-2-one
CID 18384319
5-butyl-3-cyclopentyl-1H-imidazol-2-one
CID 18384336
5-(2-methylpropyl)-3-propyl-1H-imidazol-2-one
CID 18384362
5-butyl-3-methyl-1H-imidazol-2-one
CID 18384537

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminopropyl)-1,3-dimethylimidazol-2-one?
The IUPAC name of 4-(2-aminopropyl)-1,3-dimethylimidazol-2-one (CID 112712075) is 4-(2-aminopropyl)-1,3-dimethylimidazol-2-one.
What is the SMILES notation for 4-(2-aminopropyl)-1,3-dimethylimidazol-2-one?
The canonical SMILES for 4-(2-aminopropyl)-1,3-dimethylimidazol-2-one is CC(N)Cc1cn(C)c(=O)n1C.
What is the InChIKey of 4-(2-aminopropyl)-1,3-dimethylimidazol-2-one?
The InChIKey is KIHOUPKDRHSEGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O/c1-6(9)4-7-5-10(2)8(12)11(7)3/h5-6H,4,9H2,1-3H3.
What are the key properties of 4-(2-aminopropyl)-1,3-dimethylimidazol-2-one?
4-(2-aminopropyl)-1,3-dimethylimidazol-2-one has a molecular weight of 169.23 g/mol, XLogP of -0.39, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminopropyl)-1,3-dimethylimidazol-2-one is sourced from PubChem (CID 112712075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).