2-ethyl-N,5-dimethylimidazol-1-amine

C7H13N3 — CID 21297768

IUPAC2-ethyl-N,5-dimethylimidazol-1-amine
SMILESCCc1ncc(C)n1NC
InChIInChI=1S/C7H13N3/c1-4-7-9-5-6(2)10(7)8-3/h5,8H,4H2,1-3H3
InChIKeyQMLHFKOVVCCSIR-UHFFFAOYSA-N
MW139.20 g/mol
LogP0.93
Rot. Bonds2

About 2-ethyl-N,5-dimethylimidazol-1-amine

2-ethyl-N,5-dimethylimidazol-1-amine (PubChem CID 21297768) has the molecular formula C7H13N3 and a molecular weight of 139.20 g/mol. Its IUPAC name is 2-ethyl-N,5-dimethylimidazol-1-amine.

Molecular Properties

Compound Name2-ethyl-N,5-dimethylimidazol-1-amine
PubChem CID21297768
Molecular FormulaC7H13N3
Molecular Weight139.20 g/mol
Exact Mass139.11
IUPAC Name2-ethyl-N,5-dimethylimidazol-1-amine
SMILESCCc1ncc(C)n1NC
InChIInChI=1S/C7H13N3/c1-4-7-9-5-6(2)10(7)8-3/h5,8H,4H2,1-3H3
InChIKeyQMLHFKOVVCCSIR-UHFFFAOYSA-N
XLogP0.93
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N,5-dimethylimidazol-1-amine?
The IUPAC name of 2-ethyl-N,5-dimethylimidazol-1-amine (CID 21297768) is 2-ethyl-N,5-dimethylimidazol-1-amine.
What is the SMILES notation for 2-ethyl-N,5-dimethylimidazol-1-amine?
The canonical SMILES for 2-ethyl-N,5-dimethylimidazol-1-amine is CCc1ncc(C)n1NC.
What is the InChIKey of 2-ethyl-N,5-dimethylimidazol-1-amine?
The InChIKey is QMLHFKOVVCCSIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3/c1-4-7-9-5-6(2)10(7)8-3/h5,8H,4H2,1-3H3.
What are the key properties of 2-ethyl-N,5-dimethylimidazol-1-amine?
2-ethyl-N,5-dimethylimidazol-1-amine has a molecular weight of 139.20 g/mol, XLogP of 0.93, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N,5-dimethylimidazol-1-amine is sourced from PubChem (CID 21297768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).