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

C14H27N3S — CID 65136269

IUPAC2-butan-2-ylsulfanyl-N-ethyl-1-(1-propylimidazol-2-yl)ethanamine
SMILESCCCn1ccnc1C(CSC(C)CC)NCC
InChIInChI=1S/C14H27N3S/c1-5-9-17-10-8-16-14(17)13(15-7-3)11-18-12(4)6-2/h8,10,12-13,15H,5-7,9,11H2,1-4H3
InChIKeyNMYCXNZYHVQGFG-UHFFFAOYSA-N
MW269.46 g/mol
LogP3.48
Rot. Bonds9

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

2-butan-2-ylsulfanyl-N-ethyl-1-(1-propylimidazol-2-yl)ethanamine (PubChem CID 65136269) has the molecular formula C14H27N3S and a molecular weight of 269.46 g/mol. Its IUPAC name is 2-butan-2-ylsulfanyl-N-ethyl-1-(1-propylimidazol-2-yl)ethanamine.

Molecular Properties

Compound Name2-butan-2-ylsulfanyl-N-ethyl-1-(1-propylimidazol-2-yl)ethanamine
PubChem CID65136269
Molecular FormulaC14H27N3S
Molecular Weight269.46 g/mol
Exact Mass269.19
IUPAC Name2-butan-2-ylsulfanyl-N-ethyl-1-(1-propylimidazol-2-yl)ethanamine
SMILESCCCn1ccnc1C(CSC(C)CC)NCC
InChIInChI=1S/C14H27N3S/c1-5-9-17-10-8-16-14(17)13(15-7-3)11-18-12(4)6-2/h8,10,12-13,15H,5-7,9,11H2,1-4H3
InChIKeyNMYCXNZYHVQGFG-UHFFFAOYSA-N
XLogP3.48
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.46
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-butan-2-ylsulfanyl-N-ethyl-1-(1-methylimidazol-2-yl)ethanamine
CID 65136608
N-ethyl-1-(1-propylimidazol-2-yl)nonan-1-amine
CID 115859033
N-ethyl-2-methyl-1-(1-propylimidazol-2-yl)propan-1-amine
CID 63967916
N-ethyl-3-methylsulfanyl-1-(1-propylimidazol-2-yl)propan-1-amine
CID 105148894
N-ethyl-2-methoxy-1-(1-propylimidazol-2-yl)ethanamine
CID 63970852
N-ethyl-2-(2-fluorophenyl)sulfanyl-1-(1-propylimidazol-2-yl)ethanamine
CID 66053103
N-methyl-2-(2-methylpropylsulfanyl)-1-(1-propylimidazol-2-yl)ethanamine
CID 65135355
N-propyl-1-(1-propylimidazol-2-yl)propan-1-amine
CID 63969166
N-[1-(1-ethylimidazol-2-yl)-2-propan-2-ylsulfanylethyl]propan-1-amine
CID 65131968
[2-methylsulfanyl-1-(1-propylimidazol-2-yl)ethyl]hydrazine
CID 105213893
2-butan-2-ylsulfanyl-1-(1-ethylimidazol-2-yl)ethanol
CID 65136113
N-[2-cyclopentylsulfanyl-1-(1-propylimidazol-2-yl)ethyl]propan-1-amine
CID 65140274

Frequently Asked Questions

What is the IUPAC name of 2-butan-2-ylsulfanyl-N-ethyl-1-(1-propylimidazol-2-yl)ethanamine?
The IUPAC name of 2-butan-2-ylsulfanyl-N-ethyl-1-(1-propylimidazol-2-yl)ethanamine (CID 65136269) is 2-butan-2-ylsulfanyl-N-ethyl-1-(1-propylimidazol-2-yl)ethanamine.
What is the SMILES notation for 2-butan-2-ylsulfanyl-N-ethyl-1-(1-propylimidazol-2-yl)ethanamine?
The canonical SMILES for 2-butan-2-ylsulfanyl-N-ethyl-1-(1-propylimidazol-2-yl)ethanamine is CCCn1ccnc1C(CSC(C)CC)NCC.
What is the InChIKey of 2-butan-2-ylsulfanyl-N-ethyl-1-(1-propylimidazol-2-yl)ethanamine?
The InChIKey is NMYCXNZYHVQGFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3S/c1-5-9-17-10-8-16-14(17)13(15-7-3)11-18-12(4)6-2/h8,10,12-13,15H,5-7,9,11H2,1-4H3.
What are the key properties of 2-butan-2-ylsulfanyl-N-ethyl-1-(1-propylimidazol-2-yl)ethanamine?
2-butan-2-ylsulfanyl-N-ethyl-1-(1-propylimidazol-2-yl)ethanamine has a molecular weight of 269.46 g/mol, XLogP of 3.48, 9 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-propylimidazol-2-yl)ethanamine is sourced from PubChem (CID 65136269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).