1-[2-(diethylamino)ethyl]-5-(2-methylsulfanylethyl)-4,5-dihydroimidazol-2-amine

C12H26N4S — CID 79514687

IUPAC1-[2-(diethylamino)ethyl]-5-(2-methylsulfanylethyl)-4,5-dihydroimidazol-2-amine
SMILESCCN(CC)CCN1C(N)=NCC1CCSC
InChIInChI=1S/C12H26N4S/c1-4-15(5-2)7-8-16-11(6-9-17-3)10-14-12(16)13/h11H,4-10H2,1-3H3,(H2,13,14)
InChIKeyLYEXCNXNLLBPFC-UHFFFAOYSA-N
MW258.43 g/mol
LogP1.08
Rot. Bonds8

About 1-[2-(diethylamino)ethyl]-5-(2-methylsulfanylethyl)-4,5-dihydroimidazol-2-amine

1-[2-(diethylamino)ethyl]-5-(2-methylsulfanylethyl)-4,5-dihydroimidazol-2-amine (PubChem CID 79514687) has the molecular formula C12H26N4S and a molecular weight of 258.43 g/mol. Its IUPAC name is 1-[2-(diethylamino)ethyl]-5-(2-methylsulfanylethyl)-4,5-dihydroimidazol-2-amine.

Molecular Properties

Compound Name1-[2-(diethylamino)ethyl]-5-(2-methylsulfanylethyl)-4,5-dihydroimidazol-2-amine
PubChem CID79514687
Molecular FormulaC12H26N4S
Molecular Weight258.43 g/mol
Exact Mass258.19
IUPAC Name1-[2-(diethylamino)ethyl]-5-(2-methylsulfanylethyl)-4,5-dihydroimidazol-2-amine
SMILESCCN(CC)CCN1C(N)=NCC1CCSC
InChIInChI=1S/C12H26N4S/c1-4-15(5-2)7-8-16-11(6-9-17-3)10-14-12(16)13/h11H,4-10H2,1-3H3,(H2,13,14)
InChIKeyLYEXCNXNLLBPFC-UHFFFAOYSA-N
XLogP1.08
TPSA44.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.43
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(diethylamino)ethyl]-5-(2-methylsulfanylethyl)-4,5-dihydroimidazol-2-amine?
The IUPAC name of 1-[2-(diethylamino)ethyl]-5-(2-methylsulfanylethyl)-4,5-dihydroimidazol-2-amine (CID 79514687) is 1-[2-(diethylamino)ethyl]-5-(2-methylsulfanylethyl)-4,5-dihydroimidazol-2-amine.
What is the SMILES notation for 1-[2-(diethylamino)ethyl]-5-(2-methylsulfanylethyl)-4,5-dihydroimidazol-2-amine?
The canonical SMILES for 1-[2-(diethylamino)ethyl]-5-(2-methylsulfanylethyl)-4,5-dihydroimidazol-2-amine is CCN(CC)CCN1C(N)=NCC1CCSC.
What is the InChIKey of 1-[2-(diethylamino)ethyl]-5-(2-methylsulfanylethyl)-4,5-dihydroimidazol-2-amine?
The InChIKey is LYEXCNXNLLBPFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N4S/c1-4-15(5-2)7-8-16-11(6-9-17-3)10-14-12(16)13/h11H,4-10H2,1-3H3,(H2,13,14).
What are the key properties of 1-[2-(diethylamino)ethyl]-5-(2-methylsulfanylethyl)-4,5-dihydroimidazol-2-amine?
1-[2-(diethylamino)ethyl]-5-(2-methylsulfanylethyl)-4,5-dihydroimidazol-2-amine has a molecular weight of 258.43 g/mol, XLogP of 1.08, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(diethylamino)ethyl]-5-(2-methylsulfanylethyl)-4,5-dihydroimidazol-2-amine is sourced from PubChem (CID 79514687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).