4-methyl-1-(3-methylsulfanylbutyl)imidazol-2-amine

C9H17N3S — CID 106581712

IUPAC4-methyl-1-(3-methylsulfanylbutyl)imidazol-2-amine
SMILESCSC(C)CCn1cc(C)nc1N
InChIInChI=1S/C9H17N3S/c1-7-6-12(9(10)11-7)5-4-8(2)13-3/h6,8H,4-5H2,1-3H3,(H2,10,11)
InChIKeyMZMFFLXGXRYRIG-UHFFFAOYSA-N
MW199.32 g/mol
LogP1.92
Rot. Bonds4

About 4-methyl-1-(3-methylsulfanylbutyl)imidazol-2-amine

4-methyl-1-(3-methylsulfanylbutyl)imidazol-2-amine (PubChem CID 106581712) has the molecular formula C9H17N3S and a molecular weight of 199.32 g/mol. Its IUPAC name is 4-methyl-1-(3-methylsulfanylbutyl)imidazol-2-amine.

Molecular Properties

Compound Name4-methyl-1-(3-methylsulfanylbutyl)imidazol-2-amine
PubChem CID106581712
Molecular FormulaC9H17N3S
Molecular Weight199.32 g/mol
Exact Mass199.11
IUPAC Name4-methyl-1-(3-methylsulfanylbutyl)imidazol-2-amine
SMILESCSC(C)CCn1cc(C)nc1N
InChIInChI=1S/C9H17N3S/c1-7-6-12(9(10)11-7)5-4-8(2)13-3/h6,8H,4-5H2,1-3H3,(H2,10,11)
InChIKeyMZMFFLXGXRYRIG-UHFFFAOYSA-N
XLogP1.92
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.32
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-methyl-1-(3-methylsulfanylbutyl)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 4-methyl-1-(3-methylsulfanylbutyl)imidazol-2-amine?
The IUPAC name of 4-methyl-1-(3-methylsulfanylbutyl)imidazol-2-amine (CID 106581712) is 4-methyl-1-(3-methylsulfanylbutyl)imidazol-2-amine.
What is the SMILES notation for 4-methyl-1-(3-methylsulfanylbutyl)imidazol-2-amine?
The canonical SMILES for 4-methyl-1-(3-methylsulfanylbutyl)imidazol-2-amine is CSC(C)CCn1cc(C)nc1N.
What is the InChIKey of 4-methyl-1-(3-methylsulfanylbutyl)imidazol-2-amine?
The InChIKey is MZMFFLXGXRYRIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3S/c1-7-6-12(9(10)11-7)5-4-8(2)13-3/h6,8H,4-5H2,1-3H3,(H2,10,11).
What are the key properties of 4-methyl-1-(3-methylsulfanylbutyl)imidazol-2-amine?
4-methyl-1-(3-methylsulfanylbutyl)imidazol-2-amine has a molecular weight of 199.32 g/mol, XLogP of 1.92, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(3-methylsulfanylbutyl)imidazol-2-amine is sourced from PubChem (CID 106581712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).