1-cyclohexyl-N-(1-ethylsulfanylpropan-2-yl)-4-methylimidazol-2-amine

C15H27N3S — CID 106582175

IUPAC1-cyclohexyl-N-(1-ethylsulfanylpropan-2-yl)-4-methylimidazol-2-amine
SMILESCCSCC(C)Nc1nc(C)cn1C1CCCCC1
InChIInChI=1S/C15H27N3S/c1-4-19-11-13(3)17-15-16-12(2)10-18(15)14-8-6-5-7-9-14/h10,13-14H,4-9,11H2,1-3H3,(H,16,17)
InChIKeyWKZXIQQWPAPEKR-UHFFFAOYSA-N
MW281.47 g/mol
LogP4.25
Rot. Bonds6

About 1-cyclohexyl-N-(1-ethylsulfanylpropan-2-yl)-4-methylimidazol-2-amine

1-cyclohexyl-N-(1-ethylsulfanylpropan-2-yl)-4-methylimidazol-2-amine (PubChem CID 106582175) has the molecular formula C15H27N3S and a molecular weight of 281.47 g/mol. Its IUPAC name is 1-cyclohexyl-N-(1-ethylsulfanylpropan-2-yl)-4-methylimidazol-2-amine.

Molecular Properties

Compound Name1-cyclohexyl-N-(1-ethylsulfanylpropan-2-yl)-4-methylimidazol-2-amine
PubChem CID106582175
Molecular FormulaC15H27N3S
Molecular Weight281.47 g/mol
Exact Mass281.19
IUPAC Name1-cyclohexyl-N-(1-ethylsulfanylpropan-2-yl)-4-methylimidazol-2-amine
SMILESCCSCC(C)Nc1nc(C)cn1C1CCCCC1
InChIInChI=1S/C15H27N3S/c1-4-19-11-13(3)17-15-16-12(2)10-18(15)14-8-6-5-7-9-14/h10,13-14H,4-9,11H2,1-3H3,(H,16,17)
InChIKeyWKZXIQQWPAPEKR-UHFFFAOYSA-N
XLogP4.25
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.47
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclohexyl-N-ethyl-4-methylimidazol-2-amine
CID 106554643
1-cyclooctyl-4-methyl-N-(2-methylpropyl)imidazol-2-amine
CID 106557175
1-cyclohexyl-4-methyl-N-(3-methylbutyl)imidazol-2-amine
CID 106557289
1-cyclopentyl-N-(1-cyclopropylbutan-2-yl)-4-methylimidazol-2-amine
CID 106573524
1-cyclohexyl-N-(3-ethylpentan-3-yl)-4-methylimidazol-2-amine
CID 106574939
1-cyclooctyl-4-methyl-N-propylimidazol-2-amine
CID 106557157
1-cyclohexyl-4-methyl-N-(1-thiophen-2-ylethyl)imidazol-2-amine
CID 106562165
1-cyclopentyl-4-methyl-N-(2-piperidin-1-ylpropyl)imidazol-2-amine
CID 106567951
1-cyclopentyl-4-methyl-N-(2-methylsulfinylpropyl)imidazol-2-amine
CID 106581063
N-[1-(5-chlorothiophen-2-yl)ethyl]-1-cyclohexyl-4-methylimidazol-2-amine
CID 106564522
1-cyclohexyl-N-hexyl-4-methylimidazol-2-amine
CID 106573799
N-(1-methoxypropan-2-yl)-4-methyl-1-(1-methylpiperidin-4-yl)imidazol-2-amine
CID 106561591

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-N-(1-ethylsulfanylpropan-2-yl)-4-methylimidazol-2-amine?
The IUPAC name of 1-cyclohexyl-N-(1-ethylsulfanylpropan-2-yl)-4-methylimidazol-2-amine (CID 106582175) is 1-cyclohexyl-N-(1-ethylsulfanylpropan-2-yl)-4-methylimidazol-2-amine.
What is the SMILES notation for 1-cyclohexyl-N-(1-ethylsulfanylpropan-2-yl)-4-methylimidazol-2-amine?
The canonical SMILES for 1-cyclohexyl-N-(1-ethylsulfanylpropan-2-yl)-4-methylimidazol-2-amine is CCSCC(C)Nc1nc(C)cn1C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-N-(1-ethylsulfanylpropan-2-yl)-4-methylimidazol-2-amine?
The InChIKey is WKZXIQQWPAPEKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3S/c1-4-19-11-13(3)17-15-16-12(2)10-18(15)14-8-6-5-7-9-14/h10,13-14H,4-9,11H2,1-3H3,(H,16,17).
What are the key properties of 1-cyclohexyl-N-(1-ethylsulfanylpropan-2-yl)-4-methylimidazol-2-amine?
1-cyclohexyl-N-(1-ethylsulfanylpropan-2-yl)-4-methylimidazol-2-amine has a molecular weight of 281.47 g/mol, XLogP of 4.25, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-N-(1-ethylsulfanylpropan-2-yl)-4-methylimidazol-2-amine is sourced from PubChem (CID 106582175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).