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

C13H25N3O3S — CID 106564683

IUPACN-(3-ethoxypropyl)-4-methyl-1-(3-methylsulfonylpropyl)imidazol-2-amine
SMILESCCOCCCNc1nc(C)cn1CCCS(C)(=O)=O
InChIInChI=1S/C13H25N3O3S/c1-4-19-9-5-7-14-13-15-12(2)11-16(13)8-6-10-20(3,17)18/h11H,4-10H2,1-3H3,(H,14,15)
InChIKeyNOMCCHSOLHFGFE-UHFFFAOYSA-N
MW303.43 g/mol
LogP1.46
Rot. Bonds10

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

N-(3-ethoxypropyl)-4-methyl-1-(3-methylsulfonylpropyl)imidazol-2-amine (PubChem CID 106564683) has the molecular formula C13H25N3O3S and a molecular weight of 303.43 g/mol. Its IUPAC name is N-(3-ethoxypropyl)-4-methyl-1-(3-methylsulfonylpropyl)imidazol-2-amine.

Molecular Properties

Compound NameN-(3-ethoxypropyl)-4-methyl-1-(3-methylsulfonylpropyl)imidazol-2-amine
PubChem CID106564683
Molecular FormulaC13H25N3O3S
Molecular Weight303.43 g/mol
Exact Mass303.16
IUPAC NameN-(3-ethoxypropyl)-4-methyl-1-(3-methylsulfonylpropyl)imidazol-2-amine
SMILESCCOCCCNc1nc(C)cn1CCCS(C)(=O)=O
InChIInChI=1S/C13H25N3O3S/c1-4-19-9-5-7-14-13-15-12(2)11-16(13)8-6-10-20(3,17)18/h11H,4-10H2,1-3H3,(H,14,15)
InChIKeyNOMCCHSOLHFGFE-UHFFFAOYSA-N
XLogP1.46
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.43
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-(3-cyclopropylpropyl)-N-(3-ethoxypropyl)-4-methylimidazol-2-amine
CID 106582520
N-[1-(3-ethoxypropyl)-4-methylimidazol-2-yl]-N'-ethyl-N'-methylethane-1,2-diamine
CID 106570399
N-(3-ethoxypropyl)-4-methyl-1-(2-pyridin-3-ylethyl)imidazol-2-amine
CID 106563088
1-(cyclopentylmethyl)-N-(3-ethoxypropyl)-4-methylimidazol-2-amine
CID 106561789
N-(3-ethoxypropyl)-4-methyl-1-(1,3-thiazol-2-ylmethyl)imidazol-2-amine
CID 106565661
1-(3-ethoxypropyl)-4-methyl-N-(2-pyridin-4-ylethyl)imidazol-2-amine
CID 106563286
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
N-(2-ethoxypropyl)-1-(3-ethoxypropyl)-4-methylimidazol-2-amine
CID 106581223
1-[(2-bromophenyl)methyl]-N-(3-ethoxypropyl)-4-methylimidazol-2-amine
CID 106566799
1-(3-ethoxypropyl)-4-methyl-N-[2-(1,3-thiazol-4-yl)ethyl]imidazol-2-amine
CID 106572621
N-(3-ethoxypropyl)-4-methyl-1-[(1-methylpiperidin-3-yl)methyl]imidazol-2-amine
CID 106565099

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxypropyl)-4-methyl-1-(3-methylsulfonylpropyl)imidazol-2-amine?
The IUPAC name of N-(3-ethoxypropyl)-4-methyl-1-(3-methylsulfonylpropyl)imidazol-2-amine (CID 106564683) is N-(3-ethoxypropyl)-4-methyl-1-(3-methylsulfonylpropyl)imidazol-2-amine.
What is the SMILES notation for N-(3-ethoxypropyl)-4-methyl-1-(3-methylsulfonylpropyl)imidazol-2-amine?
The canonical SMILES for N-(3-ethoxypropyl)-4-methyl-1-(3-methylsulfonylpropyl)imidazol-2-amine is CCOCCCNc1nc(C)cn1CCCS(C)(=O)=O.
What is the InChIKey of N-(3-ethoxypropyl)-4-methyl-1-(3-methylsulfonylpropyl)imidazol-2-amine?
The InChIKey is NOMCCHSOLHFGFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O3S/c1-4-19-9-5-7-14-13-15-12(2)11-16(13)8-6-10-20(3,17)18/h11H,4-10H2,1-3H3,(H,14,15).
What are the key properties of N-(3-ethoxypropyl)-4-methyl-1-(3-methylsulfonylpropyl)imidazol-2-amine?
N-(3-ethoxypropyl)-4-methyl-1-(3-methylsulfonylpropyl)imidazol-2-amine has a molecular weight of 303.43 g/mol, XLogP of 1.46, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxypropyl)-4-methyl-1-(3-methylsulfonylpropyl)imidazol-2-amine is sourced from PubChem (CID 106564683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).