1-(2-methyl-2-methylsulfanylpropyl)-N-propan-2-ylimidazol-2-amine

C11H21N3S — CID 106580897

IUPAC1-(2-methyl-2-methylsulfanylpropyl)-N-propan-2-ylimidazol-2-amine
SMILESCSC(C)(C)Cn1ccnc1NC(C)C
InChIInChI=1S/C11H21N3S/c1-9(2)13-10-12-6-7-14(10)8-11(3,4)15-5/h6-7,9H,8H2,1-5H3,(H,12,13)
InChIKeyAGAIYJCGUBUSLO-UHFFFAOYSA-N
MW227.38 g/mol
LogP2.85
Rot. Bonds5

About 1-(2-methyl-2-methylsulfanylpropyl)-N-propan-2-ylimidazol-2-amine

1-(2-methyl-2-methylsulfanylpropyl)-N-propan-2-ylimidazol-2-amine (PubChem CID 106580897) has the molecular formula C11H21N3S and a molecular weight of 227.38 g/mol. Its IUPAC name is 1-(2-methyl-2-methylsulfanylpropyl)-N-propan-2-ylimidazol-2-amine.

Molecular Properties

Compound Name1-(2-methyl-2-methylsulfanylpropyl)-N-propan-2-ylimidazol-2-amine
PubChem CID106580897
Molecular FormulaC11H21N3S
Molecular Weight227.38 g/mol
Exact Mass227.15
IUPAC Name1-(2-methyl-2-methylsulfanylpropyl)-N-propan-2-ylimidazol-2-amine
SMILESCSC(C)(C)Cn1ccnc1NC(C)C
InChIInChI=1S/C11H21N3S/c1-9(2)13-10-12-6-7-14(10)8-11(3,4)15-5/h6-7,9H,8H2,1-5H3,(H,12,13)
InChIKeyAGAIYJCGUBUSLO-UHFFFAOYSA-N
XLogP2.85
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 ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-butyl-1-(2-methyl-2-methylsulfanylpropyl)imidazol-2-amine
CID 106580890
1-(3-methylsulfanylbutyl)-N-propan-2-ylimidazol-2-amine
CID 106581680
1-pentyl-N-propan-2-ylimidazol-2-amine
CID 106556908
3-[(1-ethylimidazol-2-yl)amino]-2-methylbutan-2-ol
CID 127013523
1-[(1-methylpiperidin-4-yl)methyl]-N-propan-2-ylimidazol-2-amine
CID 106567048
1-(3-methoxypropyl)-N-propan-2-ylimidazol-2-amine
CID 106554826
1-[2-(1-methylpiperidin-4-yl)ethyl]-N-propan-2-ylimidazol-2-amine
CID 106581922
1-[(1-methylpyrrolidin-3-yl)methyl]-N-propan-2-ylimidazol-2-amine
CID 106563035
N-propan-2-yl-1-(thiolan-2-ylmethyl)imidazol-2-amine
CID 106576786
1-(2-piperidin-1-ylpropyl)-N-propan-2-ylimidazol-2-amine
CID 106567940
1-(3-methylsulfinylpropyl)-N-propan-2-ylimidazol-2-amine
CID 106580522
1-(1,4-dithian-2-ylmethyl)-N-propan-2-ylimidazol-2-amine
CID 106580102

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-2-methylsulfanylpropyl)-N-propan-2-ylimidazol-2-amine?
The IUPAC name of 1-(2-methyl-2-methylsulfanylpropyl)-N-propan-2-ylimidazol-2-amine (CID 106580897) is 1-(2-methyl-2-methylsulfanylpropyl)-N-propan-2-ylimidazol-2-amine.
What is the SMILES notation for 1-(2-methyl-2-methylsulfanylpropyl)-N-propan-2-ylimidazol-2-amine?
The canonical SMILES for 1-(2-methyl-2-methylsulfanylpropyl)-N-propan-2-ylimidazol-2-amine is CSC(C)(C)Cn1ccnc1NC(C)C.
What is the InChIKey of 1-(2-methyl-2-methylsulfanylpropyl)-N-propan-2-ylimidazol-2-amine?
The InChIKey is AGAIYJCGUBUSLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3S/c1-9(2)13-10-12-6-7-14(10)8-11(3,4)15-5/h6-7,9H,8H2,1-5H3,(H,12,13).
What are the key properties of 1-(2-methyl-2-methylsulfanylpropyl)-N-propan-2-ylimidazol-2-amine?
1-(2-methyl-2-methylsulfanylpropyl)-N-propan-2-ylimidazol-2-amine has a molecular weight of 227.38 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-2-methylsulfanylpropyl)-N-propan-2-ylimidazol-2-amine is sourced from PubChem (CID 106580897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).