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

C12H23N3O2S — CID 106580528

IUPAC1-(3-ethoxypropyl)-N-(3-methylsulfinylpropyl)imidazol-2-amine
SMILESCCOCCCn1ccnc1NCCCS(C)=O
InChIInChI=1S/C12H23N3O2S/c1-3-17-10-5-8-15-9-7-14-12(15)13-6-4-11-18(2)16/h7,9H,3-6,8,10-11H2,1-2H3,(H,13,14)
InChIKeyAKMMVTMNZADWPF-UHFFFAOYSA-N
MW273.40 g/mol
LogP1.49
Rot. Bonds10

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

1-(3-ethoxypropyl)-N-(3-methylsulfinylpropyl)imidazol-2-amine (PubChem CID 106580528) has the molecular formula C12H23N3O2S and a molecular weight of 273.40 g/mol. Its IUPAC name is 1-(3-ethoxypropyl)-N-(3-methylsulfinylpropyl)imidazol-2-amine.

Molecular Properties

Compound Name1-(3-ethoxypropyl)-N-(3-methylsulfinylpropyl)imidazol-2-amine
PubChem CID106580528
Molecular FormulaC12H23N3O2S
Molecular Weight273.40 g/mol
Exact Mass273.15
IUPAC Name1-(3-ethoxypropyl)-N-(3-methylsulfinylpropyl)imidazol-2-amine
SMILESCCOCCCn1ccnc1NCCCS(C)=O
InChIInChI=1S/C12H23N3O2S/c1-3-17-10-5-8-15-9-7-14-12(15)13-6-4-11-18(2)16/h7,9H,3-6,8,10-11H2,1-2H3,(H,13,14)
InChIKeyAKMMVTMNZADWPF-UHFFFAOYSA-N
XLogP1.49
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.40
LogP ≤ 51.49
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-(3-ethoxypropyl)-1-(2-methoxyethyl)imidazol-2-amine
CID 106554857
N-(2-butoxyethyl)-1-(3-ethoxypropyl)imidazol-2-amine
CID 106568332
1-(3-ethoxypropyl)-N-(2-piperidin-1-ylethyl)imidazol-2-amine
CID 106565048
1-butyl-N-(2-ethoxyethyl)imidazol-2-amine
CID 106554086
1-(3-ethoxypropyl)-N-methylimidazol-2-amine
CID 106555069
1-[3-(diethylamino)propyl]-N-(3-ethoxypropyl)imidazol-2-amine
CID 106558812
1-(2-methylsulfinylethyl)-N-propylimidazol-2-amine
CID 106581408
1-(3-ethoxypropyl)-N-(2-methylbutan-2-yl)imidazol-2-amine
CID 106554767
N-(3-ethoxypropyl)-1-(3-morpholin-4-ylpropyl)imidazol-2-amine
CID 106561310
1-(3-ethoxypropyl)-N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]imidazol-2-amine
CID 106577176
N-(3-methylsulfinylpropyl)-1-prop-2-enylimidazol-2-amine
CID 106580517
1-(3-ethoxypropyl)-N-(2-thiophen-2-ylethyl)imidazol-2-amine
CID 106559064

Frequently Asked Questions

What is the IUPAC name of 1-(3-ethoxypropyl)-N-(3-methylsulfinylpropyl)imidazol-2-amine?
The IUPAC name of 1-(3-ethoxypropyl)-N-(3-methylsulfinylpropyl)imidazol-2-amine (CID 106580528) is 1-(3-ethoxypropyl)-N-(3-methylsulfinylpropyl)imidazol-2-amine.
What is the SMILES notation for 1-(3-ethoxypropyl)-N-(3-methylsulfinylpropyl)imidazol-2-amine?
The canonical SMILES for 1-(3-ethoxypropyl)-N-(3-methylsulfinylpropyl)imidazol-2-amine is CCOCCCn1ccnc1NCCCS(C)=O.
What is the InChIKey of 1-(3-ethoxypropyl)-N-(3-methylsulfinylpropyl)imidazol-2-amine?
The InChIKey is AKMMVTMNZADWPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2S/c1-3-17-10-5-8-15-9-7-14-12(15)13-6-4-11-18(2)16/h7,9H,3-6,8,10-11H2,1-2H3,(H,13,14).
What are the key properties of 1-(3-ethoxypropyl)-N-(3-methylsulfinylpropyl)imidazol-2-amine?
1-(3-ethoxypropyl)-N-(3-methylsulfinylpropyl)imidazol-2-amine has a molecular weight of 273.40 g/mol, XLogP of 1.49, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethoxypropyl)-N-(3-methylsulfinylpropyl)imidazol-2-amine is sourced from PubChem (CID 106580528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).