1-(2-methylpropyl)-5-(2-methylsulfanylethyl)-4,5-dihydroimidazol-2-amine

C10H21N3S — CID 79498064

IUPAC1-(2-methylpropyl)-5-(2-methylsulfanylethyl)-4,5-dihydroimidazol-2-amine
SMILESCSCCC1CN=C(N)N1CC(C)C
InChIInChI=1S/C10H21N3S/c1-8(2)7-13-9(4-5-14-3)6-12-10(13)11/h8-9H,4-7H2,1-3H3,(H2,11,12)
InChIKeyKFPYXUSCSXHYQK-UHFFFAOYSA-N
MW215.37 g/mol
LogP1.39
Rot. Bonds5

About 1-(2-methylpropyl)-5-(2-methylsulfanylethyl)-4,5-dihydroimidazol-2-amine

1-(2-methylpropyl)-5-(2-methylsulfanylethyl)-4,5-dihydroimidazol-2-amine (PubChem CID 79498064) has the molecular formula C10H21N3S and a molecular weight of 215.37 g/mol. Its IUPAC name is 1-(2-methylpropyl)-5-(2-methylsulfanylethyl)-4,5-dihydroimidazol-2-amine.

Molecular Properties

Compound Name1-(2-methylpropyl)-5-(2-methylsulfanylethyl)-4,5-dihydroimidazol-2-amine
PubChem CID79498064
Molecular FormulaC10H21N3S
Molecular Weight215.37 g/mol
Exact Mass215.15
IUPAC Name1-(2-methylpropyl)-5-(2-methylsulfanylethyl)-4,5-dihydroimidazol-2-amine
SMILESCSCCC1CN=C(N)N1CC(C)C
InChIInChI=1S/C10H21N3S/c1-8(2)7-13-9(4-5-14-3)6-12-10(13)11/h8-9H,4-7H2,1-3H3,(H2,11,12)
InChIKeyKFPYXUSCSXHYQK-UHFFFAOYSA-N
XLogP1.39
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.37
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropyl)-5-(2-methylsulfanylethyl)-4,5-dihydroimidazol-2-amine?
The IUPAC name of 1-(2-methylpropyl)-5-(2-methylsulfanylethyl)-4,5-dihydroimidazol-2-amine (CID 79498064) is 1-(2-methylpropyl)-5-(2-methylsulfanylethyl)-4,5-dihydroimidazol-2-amine.
What is the SMILES notation for 1-(2-methylpropyl)-5-(2-methylsulfanylethyl)-4,5-dihydroimidazol-2-amine?
The canonical SMILES for 1-(2-methylpropyl)-5-(2-methylsulfanylethyl)-4,5-dihydroimidazol-2-amine is CSCCC1CN=C(N)N1CC(C)C.
What is the InChIKey of 1-(2-methylpropyl)-5-(2-methylsulfanylethyl)-4,5-dihydroimidazol-2-amine?
The InChIKey is KFPYXUSCSXHYQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3S/c1-8(2)7-13-9(4-5-14-3)6-12-10(13)11/h8-9H,4-7H2,1-3H3,(H2,11,12).
What are the key properties of 1-(2-methylpropyl)-5-(2-methylsulfanylethyl)-4,5-dihydroimidazol-2-amine?
1-(2-methylpropyl)-5-(2-methylsulfanylethyl)-4,5-dihydroimidazol-2-amine has a molecular weight of 215.37 g/mol, XLogP of 1.39, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropyl)-5-(2-methylsulfanylethyl)-4,5-dihydroimidazol-2-amine is sourced from PubChem (CID 79498064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).