4-(4-iodoimidazol-1-yl)-2-methylbutan-2-amine

C8H14IN3 — CID 21094545

IUPAC4-(4-iodoimidazol-1-yl)-2-methylbutan-2-amine
SMILESCC(C)(N)CCn1cnc(I)c1
InChIInChI=1S/C8H14IN3/c1-8(2,10)3-4-12-5-7(9)11-6-12/h5-6H,3-4,10H2,1-2H3
InChIKeyFREVVTXFQSIUER-UHFFFAOYSA-N
MW279.12 g/mol
LogP1.62
Rot. Bonds3

About 4-(4-iodoimidazol-1-yl)-2-methylbutan-2-amine

4-(4-iodoimidazol-1-yl)-2-methylbutan-2-amine (PubChem CID 21094545) has the molecular formula C8H14IN3 and a molecular weight of 279.12 g/mol. Its IUPAC name is 4-(4-iodoimidazol-1-yl)-2-methylbutan-2-amine.

Molecular Properties

Compound Name4-(4-iodoimidazol-1-yl)-2-methylbutan-2-amine
PubChem CID21094545
Molecular FormulaC8H14IN3
Molecular Weight279.12 g/mol
Exact Mass279.02
IUPAC Name4-(4-iodoimidazol-1-yl)-2-methylbutan-2-amine
SMILESCC(C)(N)CCn1cnc(I)c1
InChIInChI=1S/C8H14IN3/c1-8(2,10)3-4-12-5-7(9)11-6-12/h5-6H,3-4,10H2,1-2H3
InChIKeyFREVVTXFQSIUER-UHFFFAOYSA-N
XLogP1.62
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.12
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(4-iodoimidazol-1-yl)-2-methylbutan-2-amine?
The IUPAC name of 4-(4-iodoimidazol-1-yl)-2-methylbutan-2-amine (CID 21094545) is 4-(4-iodoimidazol-1-yl)-2-methylbutan-2-amine.
What is the SMILES notation for 4-(4-iodoimidazol-1-yl)-2-methylbutan-2-amine?
The canonical SMILES for 4-(4-iodoimidazol-1-yl)-2-methylbutan-2-amine is CC(C)(N)CCn1cnc(I)c1.
What is the InChIKey of 4-(4-iodoimidazol-1-yl)-2-methylbutan-2-amine?
The InChIKey is FREVVTXFQSIUER-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14IN3/c1-8(2,10)3-4-12-5-7(9)11-6-12/h5-6H,3-4,10H2,1-2H3.
What are the key properties of 4-(4-iodoimidazol-1-yl)-2-methylbutan-2-amine?
4-(4-iodoimidazol-1-yl)-2-methylbutan-2-amine has a molecular weight of 279.12 g/mol, XLogP of 1.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-iodoimidazol-1-yl)-2-methylbutan-2-amine is sourced from PubChem (CID 21094545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).