2,5-di(propan-2-yl)-3-propylimidazol-4-amine

C12H23N3 — CID 62219610

IUPAC2,5-di(propan-2-yl)-3-propylimidazol-4-amine
SMILESCCCn1c(C(C)C)nc(C(C)C)c1N
InChIInChI=1S/C12H23N3/c1-6-7-15-11(13)10(8(2)3)14-12(15)9(4)5/h8-9H,6-7,13H2,1-5H3
InChIKeyNJEBCOBIGFNJCE-UHFFFAOYSA-N
MW209.34 g/mol
LogP3.12
Rot. Bonds4

About 2,5-di(propan-2-yl)-3-propylimidazol-4-amine

2,5-di(propan-2-yl)-3-propylimidazol-4-amine (PubChem CID 62219610) has the molecular formula C12H23N3 and a molecular weight of 209.34 g/mol. Its IUPAC name is 2,5-di(propan-2-yl)-3-propylimidazol-4-amine.

Molecular Properties

Compound Name2,5-di(propan-2-yl)-3-propylimidazol-4-amine
PubChem CID62219610
Molecular FormulaC12H23N3
Molecular Weight209.34 g/mol
Exact Mass209.19
IUPAC Name2,5-di(propan-2-yl)-3-propylimidazol-4-amine
SMILESCCCn1c(C(C)C)nc(C(C)C)c1N
InChIInChI=1S/C12H23N3/c1-6-7-15-11(13)10(8(2)3)14-12(15)9(4)5/h8-9H,6-7,13H2,1-5H3
InChIKeyNJEBCOBIGFNJCE-UHFFFAOYSA-N
XLogP3.12
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.34
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,5-di(propan-2-yl)-3-propylimidazol-4-amine?
The IUPAC name of 2,5-di(propan-2-yl)-3-propylimidazol-4-amine (CID 62219610) is 2,5-di(propan-2-yl)-3-propylimidazol-4-amine.
What is the SMILES notation for 2,5-di(propan-2-yl)-3-propylimidazol-4-amine?
The canonical SMILES for 2,5-di(propan-2-yl)-3-propylimidazol-4-amine is CCCn1c(C(C)C)nc(C(C)C)c1N.
What is the InChIKey of 2,5-di(propan-2-yl)-3-propylimidazol-4-amine?
The InChIKey is NJEBCOBIGFNJCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3/c1-6-7-15-11(13)10(8(2)3)14-12(15)9(4)5/h8-9H,6-7,13H2,1-5H3.
What are the key properties of 2,5-di(propan-2-yl)-3-propylimidazol-4-amine?
2,5-di(propan-2-yl)-3-propylimidazol-4-amine has a molecular weight of 209.34 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-di(propan-2-yl)-3-propylimidazol-4-amine is sourced from PubChem (CID 62219610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).