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

C11H21N3S — CID 106581340

IUPAC4-methyl-1-(1-methylsulfanylpropan-2-yl)-N-propan-2-ylimidazol-2-amine
SMILESCSCC(C)n1cc(C)nc1NC(C)C
InChIInChI=1S/C11H21N3S/c1-8(2)12-11-13-9(3)6-14(11)10(4)7-15-5/h6,8,10H,7H2,1-5H3,(H,12,13)
InChIKeyUYSKGSJLWZCQLZ-UHFFFAOYSA-N
MW227.38 g/mol
LogP2.94
Rot. Bonds5

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

4-methyl-1-(1-methylsulfanylpropan-2-yl)-N-propan-2-ylimidazol-2-amine (PubChem CID 106581340) has the molecular formula C11H21N3S and a molecular weight of 227.38 g/mol. Its IUPAC name is 4-methyl-1-(1-methylsulfanylpropan-2-yl)-N-propan-2-ylimidazol-2-amine.

Molecular Properties

Compound Name4-methyl-1-(1-methylsulfanylpropan-2-yl)-N-propan-2-ylimidazol-2-amine
PubChem CID106581340
Molecular FormulaC11H21N3S
Molecular Weight227.38 g/mol
Exact Mass227.15
IUPAC Name4-methyl-1-(1-methylsulfanylpropan-2-yl)-N-propan-2-ylimidazol-2-amine
SMILESCSCC(C)n1cc(C)nc1NC(C)C
InChIInChI=1S/C11H21N3S/c1-8(2)12-11-13-9(3)6-14(11)10(4)7-15-5/h6,8,10H,7H2,1-5H3,(H,12,13)
InChIKeyUYSKGSJLWZCQLZ-UHFFFAOYSA-N
XLogP2.94
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.38
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-1-(5-methylhexan-2-yl)-N-propan-2-ylimidazol-2-amine
CID 106573765
1-(4-ethylsulfanylbutan-2-yl)-4-methyl-N-propan-2-ylimidazol-2-amine
CID 106582849
4-methyl-1-(1-phenylpropan-2-yl)-N-propan-2-ylimidazol-2-amine
CID 106571858
1-butan-2-yl-N-ethyl-4-methylimidazol-2-amine
CID 106554895
4-methyl-1-(1-phenylpropyl)-N-propan-2-ylimidazol-2-amine
CID 106569605
1-(1-cyclohexylethyl)-4-methyl-N-propan-2-ylimidazol-2-amine
CID 106571270
1-(1-methoxypropan-2-yl)-4-methyl-N-(3-methylbutan-2-yl)imidazol-2-amine
CID 106554321
4-methyl-N-(2-methylsulfanylethyl)-1-propan-2-ylimidazol-2-amine
CID 106572589
N-butyl-1-(1-ethylsulfanylpropan-2-yl)-4-methylimidazol-2-amine
CID 106582178
N-(1-methoxy-3-methylbutan-2-yl)-1-(1-methoxypropan-2-yl)-4-methylimidazol-2-amine
CID 106575059
1-(1-methoxypropan-2-yl)-4-methyl-N-(4-methylpentan-2-yl)imidazol-2-amine
CID 106561678
4-methyl-N-(1-methylsulfanylpropan-2-yl)-1-propylimidazol-2-amine
CID 106581346

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(1-methylsulfanylpropan-2-yl)-N-propan-2-ylimidazol-2-amine?
The IUPAC name of 4-methyl-1-(1-methylsulfanylpropan-2-yl)-N-propan-2-ylimidazol-2-amine (CID 106581340) is 4-methyl-1-(1-methylsulfanylpropan-2-yl)-N-propan-2-ylimidazol-2-amine.
What is the SMILES notation for 4-methyl-1-(1-methylsulfanylpropan-2-yl)-N-propan-2-ylimidazol-2-amine?
The canonical SMILES for 4-methyl-1-(1-methylsulfanylpropan-2-yl)-N-propan-2-ylimidazol-2-amine is CSCC(C)n1cc(C)nc1NC(C)C.
What is the InChIKey of 4-methyl-1-(1-methylsulfanylpropan-2-yl)-N-propan-2-ylimidazol-2-amine?
The InChIKey is UYSKGSJLWZCQLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3S/c1-8(2)12-11-13-9(3)6-14(11)10(4)7-15-5/h6,8,10H,7H2,1-5H3,(H,12,13).
What are the key properties of 4-methyl-1-(1-methylsulfanylpropan-2-yl)-N-propan-2-ylimidazol-2-amine?
4-methyl-1-(1-methylsulfanylpropan-2-yl)-N-propan-2-ylimidazol-2-amine has a molecular weight of 227.38 g/mol, XLogP of 2.94, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(1-methylsulfanylpropan-2-yl)-N-propan-2-ylimidazol-2-amine is sourced from PubChem (CID 106581340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).