5-(2-methylsulfanylethyl)-1-propan-2-yl-4,5-dihydroimidazol-2-amine

C9H19N3S — CID 79497240

IUPAC5-(2-methylsulfanylethyl)-1-propan-2-yl-4,5-dihydroimidazol-2-amine
SMILESCSCCC1CN=C(N)N1C(C)C
InChIInChI=1S/C9H19N3S/c1-7(2)12-8(4-5-13-3)6-11-9(12)10/h7-8H,4-6H2,1-3H3,(H2,10,11)
InChIKeyHXIMDDKIEYQKNO-UHFFFAOYSA-N
MW201.34 g/mol
LogP1.15
Rot. Bonds4

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

5-(2-methylsulfanylethyl)-1-propan-2-yl-4,5-dihydroimidazol-2-amine (PubChem CID 79497240) has the molecular formula C9H19N3S and a molecular weight of 201.34 g/mol. Its IUPAC name is 5-(2-methylsulfanylethyl)-1-propan-2-yl-4,5-dihydroimidazol-2-amine.

Molecular Properties

Compound Name5-(2-methylsulfanylethyl)-1-propan-2-yl-4,5-dihydroimidazol-2-amine
PubChem CID79497240
Molecular FormulaC9H19N3S
Molecular Weight201.34 g/mol
Exact Mass201.13
IUPAC Name5-(2-methylsulfanylethyl)-1-propan-2-yl-4,5-dihydroimidazol-2-amine
SMILESCSCCC1CN=C(N)N1C(C)C
InChIInChI=1S/C9H19N3S/c1-7(2)12-8(4-5-13-3)6-11-9(12)10/h7-8H,4-6H2,1-3H3,(H2,10,11)
InChIKeyHXIMDDKIEYQKNO-UHFFFAOYSA-N
XLogP1.15
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.34
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methylsulfanylethyl)-1-propan-2-yl-4,5-dihydroimidazol-2-amine?
The IUPAC name of 5-(2-methylsulfanylethyl)-1-propan-2-yl-4,5-dihydroimidazol-2-amine (CID 79497240) is 5-(2-methylsulfanylethyl)-1-propan-2-yl-4,5-dihydroimidazol-2-amine.
What is the SMILES notation for 5-(2-methylsulfanylethyl)-1-propan-2-yl-4,5-dihydroimidazol-2-amine?
The canonical SMILES for 5-(2-methylsulfanylethyl)-1-propan-2-yl-4,5-dihydroimidazol-2-amine is CSCCC1CN=C(N)N1C(C)C.
What is the InChIKey of 5-(2-methylsulfanylethyl)-1-propan-2-yl-4,5-dihydroimidazol-2-amine?
The InChIKey is HXIMDDKIEYQKNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3S/c1-7(2)12-8(4-5-13-3)6-11-9(12)10/h7-8H,4-6H2,1-3H3,(H2,10,11).
What are the key properties of 5-(2-methylsulfanylethyl)-1-propan-2-yl-4,5-dihydroimidazol-2-amine?
5-(2-methylsulfanylethyl)-1-propan-2-yl-4,5-dihydroimidazol-2-amine has a molecular weight of 201.34 g/mol, XLogP of 1.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylsulfanylethyl)-1-propan-2-yl-4,5-dihydroimidazol-2-amine is sourced from PubChem (CID 79497240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).