1-(3-ethoxypropyl)-4-methyl-N-(1-methylsulfinylpropan-2-yl)imidazol-2-amine

C13H25N3O2S — CID 106580467

IUPAC1-(3-ethoxypropyl)-4-methyl-N-(1-methylsulfinylpropan-2-yl)imidazol-2-amine
SMILESCCOCCCn1cc(C)nc1NC(C)CS(C)=O
InChIInChI=1S/C13H25N3O2S/c1-5-18-8-6-7-16-9-11(2)14-13(16)15-12(3)10-19(4)17/h9,12H,5-8,10H2,1-4H3,(H,14,15)
InChIKeyQBPLGMUMRVWXNB-UHFFFAOYSA-N
MW287.43 g/mol
LogP1.80
Rot. Bonds9

About 1-(3-ethoxypropyl)-4-methyl-N-(1-methylsulfinylpropan-2-yl)imidazol-2-amine

1-(3-ethoxypropyl)-4-methyl-N-(1-methylsulfinylpropan-2-yl)imidazol-2-amine (PubChem CID 106580467) has the molecular formula C13H25N3O2S and a molecular weight of 287.43 g/mol. Its IUPAC name is 1-(3-ethoxypropyl)-4-methyl-N-(1-methylsulfinylpropan-2-yl)imidazol-2-amine.

Molecular Properties

Compound Name1-(3-ethoxypropyl)-4-methyl-N-(1-methylsulfinylpropan-2-yl)imidazol-2-amine
PubChem CID106580467
Molecular FormulaC13H25N3O2S
Molecular Weight287.43 g/mol
Exact Mass287.17
IUPAC Name1-(3-ethoxypropyl)-4-methyl-N-(1-methylsulfinylpropan-2-yl)imidazol-2-amine
SMILESCCOCCCn1cc(C)nc1NC(C)CS(C)=O
InChIInChI=1S/C13H25N3O2S/c1-5-18-8-6-7-16-9-11(2)14-13(16)15-12(3)10-19(4)17/h9,12H,5-8,10H2,1-4H3,(H,14,15)
InChIKeyQBPLGMUMRVWXNB-UHFFFAOYSA-N
XLogP1.80
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.43
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(1-cyclohexylethyl)-1-(3-ethoxypropyl)-4-methylimidazol-2-amine
CID 106571255
1-(3-ethoxypropyl)-4-methyl-N-(1-thiophen-2-ylpropan-2-yl)imidazol-2-amine
CID 106573460
N-(2-ethoxypropyl)-1-(3-ethoxypropyl)-4-methylimidazol-2-amine
CID 106581223
4-methyl-N-propan-2-yl-1-(3-propoxypropyl)imidazol-2-amine
CID 106578561
N-(3-ethoxypropyl)-4-methyl-1-(2-methylsulfinylpropyl)imidazol-2-amine
CID 106581056
N-(2-ethoxy-2-methylpropyl)-1-(3-ethoxypropyl)-4-methylimidazol-2-amine
CID 106583247
1-butyl-N-heptan-2-yl-4-methylimidazol-2-amine
CID 106568860
N-[1-(3-ethoxypropyl)-4-methylimidazol-2-yl]-N'-ethyl-N'-methylethane-1,2-diamine
CID 106570399
1-(2-methoxyethyl)-4-methyl-N-(1-methylsulfanylpropan-2-yl)imidazol-2-amine
CID 106581332
N-(1-methoxypropan-2-yl)-4-methyl-1-(2-methylsulfinylpropyl)imidazol-2-amine
CID 106581065
N-(3-ethoxypropyl)-4-methyl-1-(3-methylsulfonylpropyl)imidazol-2-amine
CID 106564683
N-ethyl-4-methyl-1-(2-methylsulfinylethyl)imidazol-2-amine
CID 106581380

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxypropyl)-4-methyl-N-(1-methylsulfinylpropan-2-yl)imidazol-2-amine?
The IUPAC name of 1-(3-ethoxypropyl)-4-methyl-N-(1-methylsulfinylpropan-2-yl)imidazol-2-amine (CID 106580467) is 1-(3-ethoxypropyl)-4-methyl-N-(1-methylsulfinylpropan-2-yl)imidazol-2-amine.
What is the SMILES notation for 1-(3-ethoxypropyl)-4-methyl-N-(1-methylsulfinylpropan-2-yl)imidazol-2-amine?
The canonical SMILES for 1-(3-ethoxypropyl)-4-methyl-N-(1-methylsulfinylpropan-2-yl)imidazol-2-amine is CCOCCCn1cc(C)nc1NC(C)CS(C)=O.
What is the InChIKey of 1-(3-ethoxypropyl)-4-methyl-N-(1-methylsulfinylpropan-2-yl)imidazol-2-amine?
The InChIKey is QBPLGMUMRVWXNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2S/c1-5-18-8-6-7-16-9-11(2)14-13(16)15-12(3)10-19(4)17/h9,12H,5-8,10H2,1-4H3,(H,14,15).
What are the key properties of 1-(3-ethoxypropyl)-4-methyl-N-(1-methylsulfinylpropan-2-yl)imidazol-2-amine?
1-(3-ethoxypropyl)-4-methyl-N-(1-methylsulfinylpropan-2-yl)imidazol-2-amine has a molecular weight of 287.43 g/mol, XLogP of 1.80, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxypropyl)-4-methyl-N-(1-methylsulfinylpropan-2-yl)imidazol-2-amine is sourced from PubChem (CID 106580467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).