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

C10H21N3S — CID 79514960

IUPAC1-butan-2-yl-5-(2-methylsulfanylethyl)-4,5-dihydroimidazol-2-amine
SMILESCCC(C)N1C(N)=NCC1CCSC
InChIInChI=1S/C10H21N3S/c1-4-8(2)13-9(5-6-14-3)7-12-10(13)11/h8-9H,4-7H2,1-3H3,(H2,11,12)
InChIKeyDRIZRVLJTSJQJL-UHFFFAOYSA-N
MW215.37 g/mol
LogP1.54
Rot. Bonds5

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

1-butan-2-yl-5-(2-methylsulfanylethyl)-4,5-dihydroimidazol-2-amine (PubChem CID 79514960) has the molecular formula C10H21N3S and a molecular weight of 215.37 g/mol. Its IUPAC name is 1-butan-2-yl-5-(2-methylsulfanylethyl)-4,5-dihydroimidazol-2-amine.

Molecular Properties

Compound Name1-butan-2-yl-5-(2-methylsulfanylethyl)-4,5-dihydroimidazol-2-amine
PubChem CID79514960
Molecular FormulaC10H21N3S
Molecular Weight215.37 g/mol
Exact Mass215.15
IUPAC Name1-butan-2-yl-5-(2-methylsulfanylethyl)-4,5-dihydroimidazol-2-amine
SMILESCCC(C)N1C(N)=NCC1CCSC
InChIInChI=1S/C10H21N3S/c1-4-8(2)13-9(5-6-14-3)7-12-10(13)11/h8-9H,4-7H2,1-3H3,(H2,11,12)
InChIKeyDRIZRVLJTSJQJL-UHFFFAOYSA-N
XLogP1.54
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 ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-Ethyl-1-methyl-1-(thiolan-3-yl)guanidine
CID 62361657
1-Methyl-2-propyl-1-(thiolan-3-yl)guanidine
CID 62361658
1-Methyl-2-propan-2-yl-1-(thiolan-3-yl)guanidine
CID 62361659
1-Cycloheptyl-5-(2-methylsulfanylethyl)-4,5-dihydroimidazol-2-amine
CID 79497121
5-(2-Methylsulfanylethyl)-1-propan-2-yl-4,5-dihydroimidazol-2-amine
CID 79497240
1-(2-Methylpropyl)-5-(2-methylsulfanylethyl)-4,5-dihydroimidazol-2-amine
CID 79498064
1-(2-Methylpropyl)-7-thia-1,3-diazaspiro[4.4]non-2-en-2-amine
CID 79498230
1-Propan-2-yl-8-thia-1,3-diazaspiro[4.5]dec-2-en-2-amine
CID 79498284
1-[2-(Dimethylamino)ethyl]-5-(2-methylsulfanylethyl)-4,5-dihydroimidazol-2-amine
CID 79498508
5-(2-Methylsulfanylethyl)-1-prop-2-enyl-4,5-dihydroimidazol-2-amine
CID 79498533
1-Propan-2-yl-7-thia-1,3-diazaspiro[4.4]non-2-en-2-amine
CID 79498660
1-[2-(Dimethylamino)ethyl]-7-thia-1,3-diazaspiro[4.4]non-2-en-2-amine
CID 79498913

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-5-(2-methylsulfanylethyl)-4,5-dihydroimidazol-2-amine?
The IUPAC name of 1-butan-2-yl-5-(2-methylsulfanylethyl)-4,5-dihydroimidazol-2-amine (CID 79514960) is 1-butan-2-yl-5-(2-methylsulfanylethyl)-4,5-dihydroimidazol-2-amine.
What is the SMILES notation for 1-butan-2-yl-5-(2-methylsulfanylethyl)-4,5-dihydroimidazol-2-amine?
The canonical SMILES for 1-butan-2-yl-5-(2-methylsulfanylethyl)-4,5-dihydroimidazol-2-amine is CCC(C)N1C(N)=NCC1CCSC.
What is the InChIKey of 1-butan-2-yl-5-(2-methylsulfanylethyl)-4,5-dihydroimidazol-2-amine?
The InChIKey is DRIZRVLJTSJQJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3S/c1-4-8(2)13-9(5-6-14-3)7-12-10(13)11/h8-9H,4-7H2,1-3H3,(H2,11,12).
What are the key properties of 1-butan-2-yl-5-(2-methylsulfanylethyl)-4,5-dihydroimidazol-2-amine?
1-butan-2-yl-5-(2-methylsulfanylethyl)-4,5-dihydroimidazol-2-amine has a molecular weight of 215.37 g/mol, XLogP of 1.54, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-5-(2-methylsulfanylethyl)-4,5-dihydroimidazol-2-amine is sourced from PubChem (CID 79514960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).