4-methyl-1-(2-methyl-2-methylsulfonylpropyl)-N-(2-methylpropyl)imidazol-2-amine

C13H25N3O2S — CID 106576362

IUPAC4-methyl-1-(2-methyl-2-methylsulfonylpropyl)-N-(2-methylpropyl)imidazol-2-amine
SMILESCc1cn(CC(C)(C)S(C)(=O)=O)c(NCC(C)C)n1
InChIInChI=1S/C13H25N3O2S/c1-10(2)7-14-12-15-11(3)8-16(12)9-13(4,5)19(6,17)18/h8,10H,7,9H2,1-6H3,(H,14,15)
InChIKeyKTBZUXYGMIHIDR-UHFFFAOYSA-N
MW287.43 g/mol
LogP2.08
Rot. Bonds6

About 4-methyl-1-(2-methyl-2-methylsulfonylpropyl)-N-(2-methylpropyl)imidazol-2-amine

4-methyl-1-(2-methyl-2-methylsulfonylpropyl)-N-(2-methylpropyl)imidazol-2-amine (PubChem CID 106576362) has the molecular formula C13H25N3O2S and a molecular weight of 287.43 g/mol. Its IUPAC name is 4-methyl-1-(2-methyl-2-methylsulfonylpropyl)-N-(2-methylpropyl)imidazol-2-amine.

Molecular Properties

Compound Name4-methyl-1-(2-methyl-2-methylsulfonylpropyl)-N-(2-methylpropyl)imidazol-2-amine
PubChem CID106576362
Molecular FormulaC13H25N3O2S
Molecular Weight287.43 g/mol
Exact Mass287.17
IUPAC Name4-methyl-1-(2-methyl-2-methylsulfonylpropyl)-N-(2-methylpropyl)imidazol-2-amine
SMILESCc1cn(CC(C)(C)S(C)(=O)=O)c(NCC(C)C)n1
InChIInChI=1S/C13H25N3O2S/c1-10(2)7-14-12-15-11(3)8-16(12)9-13(4,5)19(6,17)18/h8,10H,7,9H2,1-6H3,(H,14,15)
InChIKeyKTBZUXYGMIHIDR-UHFFFAOYSA-N
XLogP2.08
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.43
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-ethyl-4-methyl-N-(2-methylpropyl)imidazol-2-amine
CID 106554987
1-(2-cyclopropylpropyl)-4-methyl-N-(2-methylpropyl)imidazol-2-amine
CID 106580222
4-methyl-N-(2-methylpropyl)-1-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]imidazol-2-amine
CID 106577192
1-[2-(2-methoxyethoxy)ethyl]-4-methyl-N-(2-methylpropyl)imidazol-2-amine
CID 106564443
4-methyl-N-(2-methylpropyl)-1-(thian-4-ylmethyl)imidazol-2-amine
CID 106580072
4-methyl-1-[(1-methylpiperidin-4-yl)methyl]-N-(2-methylpropyl)imidazol-2-amine
CID 106567072
1-(2,2-dimethylpropyl)-N-ethyl-4-methylimidazol-2-amine
CID 106563656
1-[(3-fluorophenyl)methyl]-4-methyl-N-(2-methylpropyl)imidazol-2-amine
CID 106560953
1-(2-bicyclo[2.2.1]heptanylmethyl)-4-methyl-N-(2-methylpropyl)imidazol-2-amine
CID 106572488
1-ethyl-4-methyl-N-(3-methylbutyl)imidazol-2-amine
CID 106557328
1-ethyl-N-(2-methoxypropyl)-4-methylimidazol-2-amine
CID 106583458
4-methyl-N-(2-methylpropyl)-1-phenylimidazol-2-amine
CID 106554707

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(2-methyl-2-methylsulfonylpropyl)-N-(2-methylpropyl)imidazol-2-amine?
The IUPAC name of 4-methyl-1-(2-methyl-2-methylsulfonylpropyl)-N-(2-methylpropyl)imidazol-2-amine (CID 106576362) is 4-methyl-1-(2-methyl-2-methylsulfonylpropyl)-N-(2-methylpropyl)imidazol-2-amine.
What is the SMILES notation for 4-methyl-1-(2-methyl-2-methylsulfonylpropyl)-N-(2-methylpropyl)imidazol-2-amine?
The canonical SMILES for 4-methyl-1-(2-methyl-2-methylsulfonylpropyl)-N-(2-methylpropyl)imidazol-2-amine is Cc1cn(CC(C)(C)S(C)(=O)=O)c(NCC(C)C)n1.
What is the InChIKey of 4-methyl-1-(2-methyl-2-methylsulfonylpropyl)-N-(2-methylpropyl)imidazol-2-amine?
The InChIKey is KTBZUXYGMIHIDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O2S/c1-10(2)7-14-12-15-11(3)8-16(12)9-13(4,5)19(6,17)18/h8,10H,7,9H2,1-6H3,(H,14,15).
What are the key properties of 4-methyl-1-(2-methyl-2-methylsulfonylpropyl)-N-(2-methylpropyl)imidazol-2-amine?
4-methyl-1-(2-methyl-2-methylsulfonylpropyl)-N-(2-methylpropyl)imidazol-2-amine has a molecular weight of 287.43 g/mol, XLogP of 2.08, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(2-methyl-2-methylsulfonylpropyl)-N-(2-methylpropyl)imidazol-2-amine is sourced from PubChem (CID 106576362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).