4-methyl-N-(1-methylsulfanylpropan-2-yl)-1-propylimidazol-2-amine

C11H21N3S — CID 106581346

IUPAC4-methyl-N-(1-methylsulfanylpropan-2-yl)-1-propylimidazol-2-amine
SMILESCCCn1cc(C)nc1NC(C)CSC
InChIInChI=1S/C11H21N3S/c1-5-6-14-7-9(2)12-11(14)13-10(3)8-15-4/h7,10H,5-6,8H2,1-4H3,(H,12,13)
InChIKeyDXKPPPZZYXXSHE-UHFFFAOYSA-N
MW227.38 g/mol
LogP2.76
Rot. Bonds6

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

4-methyl-N-(1-methylsulfanylpropan-2-yl)-1-propylimidazol-2-amine (PubChem CID 106581346) has the molecular formula C11H21N3S and a molecular weight of 227.38 g/mol. Its IUPAC name is 4-methyl-N-(1-methylsulfanylpropan-2-yl)-1-propylimidazol-2-amine.

Molecular Properties

Compound Name4-methyl-N-(1-methylsulfanylpropan-2-yl)-1-propylimidazol-2-amine
PubChem CID106581346
Molecular FormulaC11H21N3S
Molecular Weight227.38 g/mol
Exact Mass227.15
IUPAC Name4-methyl-N-(1-methylsulfanylpropan-2-yl)-1-propylimidazol-2-amine
SMILESCCCn1cc(C)nc1NC(C)CSC
InChIInChI=1S/C11H21N3S/c1-5-6-14-7-9(2)12-11(14)13-10(3)8-15-4/h7,10H,5-6,8H2,1-4H3,(H,12,13)
InChIKeyDXKPPPZZYXXSHE-UHFFFAOYSA-N
XLogP2.76
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.38
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-methoxyethyl)-4-methyl-N-(1-methylsulfanylpropan-2-yl)imidazol-2-amine
CID 106581332
4-methyl-N-(1-methylsulfonylpropan-2-yl)-1-propylimidazol-2-amine
CID 106574476
4-methyl-N-(1-phenylpropan-2-yl)-1-propylimidazol-2-amine
CID 106571864
1-butyl-N-heptan-2-yl-4-methylimidazol-2-amine
CID 106568860
N-[1-(4-chlorophenyl)ethyl]-4-methyl-1-propylimidazol-2-amine
CID 106565809
4-methyl-1-propyl-N-(1-thiophen-3-ylethyl)imidazol-2-amine
CID 106570913
1-ethyl-4-methyl-N-(1-methylsulfonylpropan-2-yl)imidazol-2-amine
CID 106574492
1-butyl-4-methyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]imidazol-2-amine
CID 106575161
N-heptan-2-yl-4-methyl-1-(2-methylpropyl)imidazol-2-amine
CID 106568866
1-ethyl-4-methyl-N-(2-methylpentan-3-yl)imidazol-2-amine
CID 106564923
4-methyl-N-propan-2-yl-1-(3-propoxypropyl)imidazol-2-amine
CID 106578561
N-(2-cyclopropylpropyl)-4-methyl-1-propylimidazol-2-amine
CID 106580220

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(1-methylsulfanylpropan-2-yl)-1-propylimidazol-2-amine?
The IUPAC name of 4-methyl-N-(1-methylsulfanylpropan-2-yl)-1-propylimidazol-2-amine (CID 106581346) is 4-methyl-N-(1-methylsulfanylpropan-2-yl)-1-propylimidazol-2-amine.
What is the SMILES notation for 4-methyl-N-(1-methylsulfanylpropan-2-yl)-1-propylimidazol-2-amine?
The canonical SMILES for 4-methyl-N-(1-methylsulfanylpropan-2-yl)-1-propylimidazol-2-amine is CCCn1cc(C)nc1NC(C)CSC.
What is the InChIKey of 4-methyl-N-(1-methylsulfanylpropan-2-yl)-1-propylimidazol-2-amine?
The InChIKey is DXKPPPZZYXXSHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3S/c1-5-6-14-7-9(2)12-11(14)13-10(3)8-15-4/h7,10H,5-6,8H2,1-4H3,(H,12,13).
What are the key properties of 4-methyl-N-(1-methylsulfanylpropan-2-yl)-1-propylimidazol-2-amine?
4-methyl-N-(1-methylsulfanylpropan-2-yl)-1-propylimidazol-2-amine has a molecular weight of 227.38 g/mol, XLogP of 2.76, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(1-methylsulfanylpropan-2-yl)-1-propylimidazol-2-amine is sourced from PubChem (CID 106581346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).