2-butyl-N-ethyl-4,5-dihydroimidazol-1-amine

C9H19N3 — CID 133064193

IUPAC2-butyl-N-ethyl-4,5-dihydroimidazol-1-amine
SMILESCCCCC1=NCCN1NCC
InChIInChI=1S/C9H19N3/c1-3-5-6-9-10-7-8-12(9)11-4-2/h11H,3-8H2,1-2H3
InChIKeyOPHHDOUAHNWLCG-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.42
Rot. Bonds5

About 2-butyl-N-ethyl-4,5-dihydroimidazol-1-amine

2-butyl-N-ethyl-4,5-dihydroimidazol-1-amine (PubChem CID 133064193) has the molecular formula C9H19N3 and a molecular weight of 169.27 g/mol. Its IUPAC name is 2-butyl-N-ethyl-4,5-dihydroimidazol-1-amine.

Molecular Properties

Compound Name2-butyl-N-ethyl-4,5-dihydroimidazol-1-amine
PubChem CID133064193
Molecular FormulaC9H19N3
Molecular Weight169.27 g/mol
Exact Mass169.16
IUPAC Name2-butyl-N-ethyl-4,5-dihydroimidazol-1-amine
SMILESCCCCC1=NCCN1NCC
InChIInChI=1S/C9H19N3/c1-3-5-6-9-10-7-8-12(9)11-4-2/h11H,3-8H2,1-2H3
InChIKeyOPHHDOUAHNWLCG-UHFFFAOYSA-N
XLogP1.42
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-butyl-N-ethyl-4,5-dihydroimidazol-1-amine?
The IUPAC name of 2-butyl-N-ethyl-4,5-dihydroimidazol-1-amine (CID 133064193) is 2-butyl-N-ethyl-4,5-dihydroimidazol-1-amine.
What is the SMILES notation for 2-butyl-N-ethyl-4,5-dihydroimidazol-1-amine?
The canonical SMILES for 2-butyl-N-ethyl-4,5-dihydroimidazol-1-amine is CCCCC1=NCCN1NCC.
What is the InChIKey of 2-butyl-N-ethyl-4,5-dihydroimidazol-1-amine?
The InChIKey is OPHHDOUAHNWLCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3/c1-3-5-6-9-10-7-8-12(9)11-4-2/h11H,3-8H2,1-2H3.
What are the key properties of 2-butyl-N-ethyl-4,5-dihydroimidazol-1-amine?
2-butyl-N-ethyl-4,5-dihydroimidazol-1-amine has a molecular weight of 169.27 g/mol, XLogP of 1.42, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-N-ethyl-4,5-dihydroimidazol-1-amine is sourced from PubChem (CID 133064193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).