2-methyl-5-pentan-2-yl-3-propylimidazol-4-amine

C12H23N3 — CID 62226709

IUPAC2-methyl-5-pentan-2-yl-3-propylimidazol-4-amine
SMILESCCCC(C)c1nc(C)n(CCC)c1N
InChIInChI=1S/C12H23N3/c1-5-7-9(3)11-12(13)15(8-6-2)10(4)14-11/h9H,5-8,13H2,1-4H3
InChIKeyOJYFZDRPPABZFS-UHFFFAOYSA-N
MW209.34 g/mol
LogP3.09
Rot. Bonds5

About 2-methyl-5-pentan-2-yl-3-propylimidazol-4-amine

2-methyl-5-pentan-2-yl-3-propylimidazol-4-amine (PubChem CID 62226709) has the molecular formula C12H23N3 and a molecular weight of 209.34 g/mol. Its IUPAC name is 2-methyl-5-pentan-2-yl-3-propylimidazol-4-amine.

Molecular Properties

Compound Name2-methyl-5-pentan-2-yl-3-propylimidazol-4-amine
PubChem CID62226709
Molecular FormulaC12H23N3
Molecular Weight209.34 g/mol
Exact Mass209.19
IUPAC Name2-methyl-5-pentan-2-yl-3-propylimidazol-4-amine
SMILESCCCC(C)c1nc(C)n(CCC)c1N
InChIInChI=1S/C12H23N3/c1-5-7-9(3)11-12(13)15(8-6-2)10(4)14-11/h9H,5-8,13H2,1-4H3
InChIKeyOJYFZDRPPABZFS-UHFFFAOYSA-N
XLogP3.09
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.34
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-pentan-2-yl-3-propylimidazol-4-amine?
The IUPAC name of 2-methyl-5-pentan-2-yl-3-propylimidazol-4-amine (CID 62226709) is 2-methyl-5-pentan-2-yl-3-propylimidazol-4-amine.
What is the SMILES notation for 2-methyl-5-pentan-2-yl-3-propylimidazol-4-amine?
The canonical SMILES for 2-methyl-5-pentan-2-yl-3-propylimidazol-4-amine is CCCC(C)c1nc(C)n(CCC)c1N.
What is the InChIKey of 2-methyl-5-pentan-2-yl-3-propylimidazol-4-amine?
The InChIKey is OJYFZDRPPABZFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3/c1-5-7-9(3)11-12(13)15(8-6-2)10(4)14-11/h9H,5-8,13H2,1-4H3.
What are the key properties of 2-methyl-5-pentan-2-yl-3-propylimidazol-4-amine?
2-methyl-5-pentan-2-yl-3-propylimidazol-4-amine has a molecular weight of 209.34 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-pentan-2-yl-3-propylimidazol-4-amine is sourced from PubChem (CID 62226709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).