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

C13H25N3O2S — CID 106581056

IUPACN-(3-ethoxypropyl)-4-methyl-1-(2-methylsulfinylpropyl)imidazol-2-amine
SMILESCCOCCCNc1nc(C)cn1CC(C)S(C)=O
InChIInChI=1S/C13H25N3O2S/c1-5-18-8-6-7-14-13-15-11(2)9-16(13)10-12(3)19(4)17/h9,12H,5-8,10H2,1-4H3,(H,14,15)
InChIKeyFXFJDUHTWAVYOG-UHFFFAOYSA-N
MW287.43 g/mol
LogP1.80
Rot. Bonds9

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

N-(3-ethoxypropyl)-4-methyl-1-(2-methylsulfinylpropyl)imidazol-2-amine (PubChem CID 106581056) has the molecular formula C13H25N3O2S and a molecular weight of 287.43 g/mol. Its IUPAC name is N-(3-ethoxypropyl)-4-methyl-1-(2-methylsulfinylpropyl)imidazol-2-amine.

Molecular Properties

Compound NameN-(3-ethoxypropyl)-4-methyl-1-(2-methylsulfinylpropyl)imidazol-2-amine
PubChem CID106581056
Molecular FormulaC13H25N3O2S
Molecular Weight287.43 g/mol
Exact Mass287.17
IUPAC NameN-(3-ethoxypropyl)-4-methyl-1-(2-methylsulfinylpropyl)imidazol-2-amine
SMILESCCOCCCNc1nc(C)cn1CC(C)S(C)=O
InChIInChI=1S/C13H25N3O2S/c1-5-18-8-6-7-14-13-15-11(2)9-16(13)10-12(3)19(4)17/h9,12H,5-8,10H2,1-4H3,(H,14,15)
InChIKeyFXFJDUHTWAVYOG-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'}

Analyze N-(3-ethoxypropyl)-4-methyl-1-(2-methylsulfinylpropyl)imidazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxypropyl)-4-methyl-1-(2-methylsulfinylpropyl)imidazol-2-amine?
The IUPAC name of N-(3-ethoxypropyl)-4-methyl-1-(2-methylsulfinylpropyl)imidazol-2-amine (CID 106581056) is N-(3-ethoxypropyl)-4-methyl-1-(2-methylsulfinylpropyl)imidazol-2-amine.
What is the SMILES notation for N-(3-ethoxypropyl)-4-methyl-1-(2-methylsulfinylpropyl)imidazol-2-amine?
The canonical SMILES for N-(3-ethoxypropyl)-4-methyl-1-(2-methylsulfinylpropyl)imidazol-2-amine is CCOCCCNc1nc(C)cn1CC(C)S(C)=O.
What is the InChIKey of N-(3-ethoxypropyl)-4-methyl-1-(2-methylsulfinylpropyl)imidazol-2-amine?
The InChIKey is FXFJDUHTWAVYOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2S/c1-5-18-8-6-7-14-13-15-11(2)9-16(13)10-12(3)19(4)17/h9,12H,5-8,10H2,1-4H3,(H,14,15).
What are the key properties of N-(3-ethoxypropyl)-4-methyl-1-(2-methylsulfinylpropyl)imidazol-2-amine?
N-(3-ethoxypropyl)-4-methyl-1-(2-methylsulfinylpropyl)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 N-(3-ethoxypropyl)-4-methyl-1-(2-methylsulfinylpropyl)imidazol-2-amine is sourced from PubChem (CID 106581056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).