5-ethyl-1-methyl-4,5-dihydroimidazol-2-amine

C6H13N3 — CID 79498376

IUPAC5-ethyl-1-methyl-4,5-dihydroimidazol-2-amine
SMILESCCC1CN=C(N)N1C
InChIInChI=1S/C6H13N3/c1-3-5-4-8-6(7)9(5)2/h5H,3-4H2,1-2H3,(H2,7,8)
InChIKeyJOBJKYZZOYIVJO-UHFFFAOYSA-N
MW127.19 g/mol
LogP0.03
Rot. Bonds1

About 5-ethyl-1-methyl-4,5-dihydroimidazol-2-amine

5-ethyl-1-methyl-4,5-dihydroimidazol-2-amine (PubChem CID 79498376) has the molecular formula C6H13N3 and a molecular weight of 127.19 g/mol. Its IUPAC name is 5-ethyl-1-methyl-4,5-dihydroimidazol-2-amine.

Molecular Properties

Compound Name5-ethyl-1-methyl-4,5-dihydroimidazol-2-amine
PubChem CID79498376
Molecular FormulaC6H13N3
Molecular Weight127.19 g/mol
Exact Mass127.11
IUPAC Name5-ethyl-1-methyl-4,5-dihydroimidazol-2-amine
SMILESCCC1CN=C(N)N1C
InChIInChI=1S/C6H13N3/c1-3-5-4-8-6(7)9(5)2/h5H,3-4H2,1-2H3,(H2,7,8)
InChIKeyJOBJKYZZOYIVJO-UHFFFAOYSA-N
XLogP0.03
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 50.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1-methyl-4,5-dihydroimidazol-2-amine?
The IUPAC name of 5-ethyl-1-methyl-4,5-dihydroimidazol-2-amine (CID 79498376) is 5-ethyl-1-methyl-4,5-dihydroimidazol-2-amine.
What is the SMILES notation for 5-ethyl-1-methyl-4,5-dihydroimidazol-2-amine?
The canonical SMILES for 5-ethyl-1-methyl-4,5-dihydroimidazol-2-amine is CCC1CN=C(N)N1C.
What is the InChIKey of 5-ethyl-1-methyl-4,5-dihydroimidazol-2-amine?
The InChIKey is JOBJKYZZOYIVJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N3/c1-3-5-4-8-6(7)9(5)2/h5H,3-4H2,1-2H3,(H2,7,8).
What are the key properties of 5-ethyl-1-methyl-4,5-dihydroimidazol-2-amine?
5-ethyl-1-methyl-4,5-dihydroimidazol-2-amine has a molecular weight of 127.19 g/mol, XLogP of 0.03, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1-methyl-4,5-dihydroimidazol-2-amine is sourced from PubChem (CID 79498376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).