2-butan-2-ylsulfanyl-N-ethyl-1-(1-methylimidazol-2-yl)ethanamine

C12H23N3S — CID 65136608

IUPAC2-butan-2-ylsulfanyl-N-ethyl-1-(1-methylimidazol-2-yl)ethanamine
SMILESCCNC(CSC(C)CC)c1nccn1C
InChIInChI=1S/C12H23N3S/c1-5-10(3)16-9-11(13-6-2)12-14-7-8-15(12)4/h7-8,10-11,13H,5-6,9H2,1-4H3
InChIKeyZUMMDSCXSWWKMB-UHFFFAOYSA-N
MW241.40 g/mol
LogP2.60
Rot. Bonds7

About 2-butan-2-ylsulfanyl-N-ethyl-1-(1-methylimidazol-2-yl)ethanamine

2-butan-2-ylsulfanyl-N-ethyl-1-(1-methylimidazol-2-yl)ethanamine (PubChem CID 65136608) has the molecular formula C12H23N3S and a molecular weight of 241.40 g/mol. Its IUPAC name is 2-butan-2-ylsulfanyl-N-ethyl-1-(1-methylimidazol-2-yl)ethanamine.

Molecular Properties

Compound Name2-butan-2-ylsulfanyl-N-ethyl-1-(1-methylimidazol-2-yl)ethanamine
PubChem CID65136608
Molecular FormulaC12H23N3S
Molecular Weight241.40 g/mol
Exact Mass241.16
IUPAC Name2-butan-2-ylsulfanyl-N-ethyl-1-(1-methylimidazol-2-yl)ethanamine
SMILESCCNC(CSC(C)CC)c1nccn1C
InChIInChI=1S/C12H23N3S/c1-5-10(3)16-9-11(13-6-2)12-14-7-8-15(12)4/h7-8,10-11,13H,5-6,9H2,1-4H3
InChIKeyZUMMDSCXSWWKMB-UHFFFAOYSA-N
XLogP2.60
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.40
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-butan-2-ylsulfanyl-N-ethyl-1-(1-propylimidazol-2-yl)ethanamine
CID 65136269
N-ethyl-1-(1-methylimidazol-2-yl)-2-(2-methylphenyl)sulfanylethanamine
CID 66097173
N-[1-(1-methylimidazol-2-yl)-2-methylsulfanylethyl]propan-1-amine
CID 63976870
2-methyl-N-[1-(1-methylimidazol-2-yl)propyl]propan-1-amine
CID 115900547
N-ethyl-3-(1-methylimidazol-2-yl)butan-2-amine
CID 63200047
N-[2-ethylsulfanyl-1-(1-methylimidazol-2-yl)ethyl]propan-1-amine
CID 65127541
N-ethyl-2-methoxy-1-(1-methylimidazol-2-yl)propan-1-amine
CID 79615862
1-methyl-2-pentan-3-ylimidazole
CID 89261277
N-ethyl-1-(1-methylimidazol-2-yl)-2-(1-methylpyrazol-3-yl)ethanamine
CID 82876707
N-ethyl-1-(1-methylimidazol-2-yl)-3-phenylpropan-1-amine
CID 63974955
2-butan-2-ylsulfanyl-1-(1-ethylimidazol-2-yl)ethanol
CID 65136113
N-ethyl-2-(furan-3-yl)-1-(1-methylimidazol-2-yl)ethanamine
CID 83182674

Frequently Asked Questions

What is the IUPAC name of 2-butan-2-ylsulfanyl-N-ethyl-1-(1-methylimidazol-2-yl)ethanamine?
The IUPAC name of 2-butan-2-ylsulfanyl-N-ethyl-1-(1-methylimidazol-2-yl)ethanamine (CID 65136608) is 2-butan-2-ylsulfanyl-N-ethyl-1-(1-methylimidazol-2-yl)ethanamine.
What is the SMILES notation for 2-butan-2-ylsulfanyl-N-ethyl-1-(1-methylimidazol-2-yl)ethanamine?
The canonical SMILES for 2-butan-2-ylsulfanyl-N-ethyl-1-(1-methylimidazol-2-yl)ethanamine is CCNC(CSC(C)CC)c1nccn1C.
What is the InChIKey of 2-butan-2-ylsulfanyl-N-ethyl-1-(1-methylimidazol-2-yl)ethanamine?
The InChIKey is ZUMMDSCXSWWKMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3S/c1-5-10(3)16-9-11(13-6-2)12-14-7-8-15(12)4/h7-8,10-11,13H,5-6,9H2,1-4H3.
What are the key properties of 2-butan-2-ylsulfanyl-N-ethyl-1-(1-methylimidazol-2-yl)ethanamine?
2-butan-2-ylsulfanyl-N-ethyl-1-(1-methylimidazol-2-yl)ethanamine has a molecular weight of 241.40 g/mol, XLogP of 2.60, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-ylsulfanyl-N-ethyl-1-(1-methylimidazol-2-yl)ethanamine is sourced from PubChem (CID 65136608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).