4-methyl-N-(2-methylsulfanylethyl)-1-propan-2-ylimidazol-2-amine

C10H19N3S — CID 106572589

IUPAC4-methyl-N-(2-methylsulfanylethyl)-1-propan-2-ylimidazol-2-amine
SMILESCSCCNc1nc(C)cn1C(C)C
InChIInChI=1S/C10H19N3S/c1-8(2)13-7-9(3)12-10(13)11-5-6-14-4/h7-8H,5-6H2,1-4H3,(H,11,12)
InChIKeySGQSQXCDTNOBGK-UHFFFAOYSA-N
MW213.35 g/mol
LogP2.55
Rot. Bonds5

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

4-methyl-N-(2-methylsulfanylethyl)-1-propan-2-ylimidazol-2-amine (PubChem CID 106572589) has the molecular formula C10H19N3S and a molecular weight of 213.35 g/mol. Its IUPAC name is 4-methyl-N-(2-methylsulfanylethyl)-1-propan-2-ylimidazol-2-amine.

Molecular Properties

Compound Name4-methyl-N-(2-methylsulfanylethyl)-1-propan-2-ylimidazol-2-amine
PubChem CID106572589
Molecular FormulaC10H19N3S
Molecular Weight213.35 g/mol
Exact Mass213.13
IUPAC Name4-methyl-N-(2-methylsulfanylethyl)-1-propan-2-ylimidazol-2-amine
SMILESCSCCNc1nc(C)cn1C(C)C
InChIInChI=1S/C10H19N3S/c1-8(2)13-7-9(3)12-10(13)11-5-6-14-4/h7-8H,5-6H2,1-4H3,(H,11,12)
InChIKeySGQSQXCDTNOBGK-UHFFFAOYSA-N
XLogP2.55
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.35
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-methyl-N-(2-methylsulfanylethyl)-1-propan-2-ylimidazol-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

Related Compounds

1,4-dimethyl-N-(3-methylsulfanylpropyl)imidazol-2-amine
CID 106573659
1-butan-2-yl-N-ethyl-4-methylimidazol-2-amine
CID 106554895
4-methyl-1-propan-2-yl-N-(pyridin-4-ylmethyl)imidazol-2-amine
CID 106560368
1-butan-2-yl-N-(2-methoxyethyl)-4-methylimidazol-2-amine
CID 106554900
4-methyl-1-(1-methylsulfanylpropan-2-yl)-N-propan-2-ylimidazol-2-amine
CID 106581340
N-butyl-1-(1-ethylsulfanylpropan-2-yl)-4-methylimidazol-2-amine
CID 106582178
N-(4-ethylsulfanylbutan-2-yl)-4-methyl-1-propan-2-ylimidazol-2-amine
CID 106582854
1-(1-methoxypropan-2-yl)-4-methyl-N-propylimidazol-2-amine
CID 106554728
4-methyl-N-(naphthalen-1-ylmethyl)-1-propan-2-ylimidazol-2-amine
CID 106571375
1-(1-cyclopropylpropan-2-yl)-4-methyl-N-propylimidazol-2-amine
CID 106572732
4-methyl-1-propan-2-yl-N-(thian-2-ylmethyl)imidazol-2-amine
CID 106577137
1-(1-cyclobutylethyl)-4-methyl-N-propylimidazol-2-amine
CID 106582706

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(2-methylsulfanylethyl)-1-propan-2-ylimidazol-2-amine?
The IUPAC name of 4-methyl-N-(2-methylsulfanylethyl)-1-propan-2-ylimidazol-2-amine (CID 106572589) is 4-methyl-N-(2-methylsulfanylethyl)-1-propan-2-ylimidazol-2-amine.
What is the SMILES notation for 4-methyl-N-(2-methylsulfanylethyl)-1-propan-2-ylimidazol-2-amine?
The canonical SMILES for 4-methyl-N-(2-methylsulfanylethyl)-1-propan-2-ylimidazol-2-amine is CSCCNc1nc(C)cn1C(C)C.
What is the InChIKey of 4-methyl-N-(2-methylsulfanylethyl)-1-propan-2-ylimidazol-2-amine?
The InChIKey is SGQSQXCDTNOBGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3S/c1-8(2)13-7-9(3)12-10(13)11-5-6-14-4/h7-8H,5-6H2,1-4H3,(H,11,12).
What are the key properties of 4-methyl-N-(2-methylsulfanylethyl)-1-propan-2-ylimidazol-2-amine?
4-methyl-N-(2-methylsulfanylethyl)-1-propan-2-ylimidazol-2-amine has a molecular weight of 213.35 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(2-methylsulfanylethyl)-1-propan-2-ylimidazol-2-amine is sourced from PubChem (CID 106572589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).