1-(4-ethylsulfanylbutan-2-yl)-4-methyl-N-propan-2-ylimidazol-2-amine

C13H25N3S — CID 106582849

IUPAC1-(4-ethylsulfanylbutan-2-yl)-4-methyl-N-propan-2-ylimidazol-2-amine
SMILESCCSCCC(C)n1cc(C)nc1NC(C)C
InChIInChI=1S/C13H25N3S/c1-6-17-8-7-12(5)16-9-11(4)15-13(16)14-10(2)3/h9-10,12H,6-8H2,1-5H3,(H,14,15)
InChIKeyFMALZNWZCXBTDA-UHFFFAOYSA-N
MW255.43 g/mol
LogP3.72
Rot. Bonds7

About 1-(4-ethylsulfanylbutan-2-yl)-4-methyl-N-propan-2-ylimidazol-2-amine

1-(4-ethylsulfanylbutan-2-yl)-4-methyl-N-propan-2-ylimidazol-2-amine (PubChem CID 106582849) has the molecular formula C13H25N3S and a molecular weight of 255.43 g/mol. Its IUPAC name is 1-(4-ethylsulfanylbutan-2-yl)-4-methyl-N-propan-2-ylimidazol-2-amine.

Molecular Properties

Compound Name1-(4-ethylsulfanylbutan-2-yl)-4-methyl-N-propan-2-ylimidazol-2-amine
PubChem CID106582849
Molecular FormulaC13H25N3S
Molecular Weight255.43 g/mol
Exact Mass255.18
IUPAC Name1-(4-ethylsulfanylbutan-2-yl)-4-methyl-N-propan-2-ylimidazol-2-amine
SMILESCCSCCC(C)n1cc(C)nc1NC(C)C
InChIInChI=1S/C13H25N3S/c1-6-17-8-7-12(5)16-9-11(4)15-13(16)14-10(2)3/h9-10,12H,6-8H2,1-5H3,(H,14,15)
InChIKeyFMALZNWZCXBTDA-UHFFFAOYSA-N
XLogP3.72
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.43
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylsulfanylbutan-2-yl)-4-methyl-N-propan-2-ylimidazol-2-amine?
The IUPAC name of 1-(4-ethylsulfanylbutan-2-yl)-4-methyl-N-propan-2-ylimidazol-2-amine (CID 106582849) is 1-(4-ethylsulfanylbutan-2-yl)-4-methyl-N-propan-2-ylimidazol-2-amine.
What is the SMILES notation for 1-(4-ethylsulfanylbutan-2-yl)-4-methyl-N-propan-2-ylimidazol-2-amine?
The canonical SMILES for 1-(4-ethylsulfanylbutan-2-yl)-4-methyl-N-propan-2-ylimidazol-2-amine is CCSCCC(C)n1cc(C)nc1NC(C)C.
What is the InChIKey of 1-(4-ethylsulfanylbutan-2-yl)-4-methyl-N-propan-2-ylimidazol-2-amine?
The InChIKey is FMALZNWZCXBTDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3S/c1-6-17-8-7-12(5)16-9-11(4)15-13(16)14-10(2)3/h9-10,12H,6-8H2,1-5H3,(H,14,15).
What are the key properties of 1-(4-ethylsulfanylbutan-2-yl)-4-methyl-N-propan-2-ylimidazol-2-amine?
1-(4-ethylsulfanylbutan-2-yl)-4-methyl-N-propan-2-ylimidazol-2-amine has a molecular weight of 255.43 g/mol, XLogP of 3.72, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylsulfanylbutan-2-yl)-4-methyl-N-propan-2-ylimidazol-2-amine is sourced from PubChem (CID 106582849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).