3-ethyl-6-(2-iodopropan-2-yl)-1,4-dimethyl-2H-pyridine

C12H20IN — CID 139378733

IUPAC3-ethyl-6-(2-iodopropan-2-yl)-1,4-dimethyl-2H-pyridine
SMILESCCC1=C(C)C=C(C(C)(C)I)N(C)C1
InChIInChI=1S/C12H20IN/c1-6-10-8-14(5)11(7-9(10)2)12(3,4)13/h7H,6,8H2,1-5H3
InChIKeyDZIBICCMDPGXKU-UHFFFAOYSA-N
MW305.20 g/mol
LogP3.76
Rot. Bonds2

About 3-ethyl-6-(2-iodopropan-2-yl)-1,4-dimethyl-2H-pyridine

3-ethyl-6-(2-iodopropan-2-yl)-1,4-dimethyl-2H-pyridine (PubChem CID 139378733) has the molecular formula C12H20IN and a molecular weight of 305.20 g/mol. Its IUPAC name is 3-ethyl-6-(2-iodopropan-2-yl)-1,4-dimethyl-2H-pyridine.

Molecular Properties

Compound Name3-ethyl-6-(2-iodopropan-2-yl)-1,4-dimethyl-2H-pyridine
PubChem CID139378733
Molecular FormulaC12H20IN
Molecular Weight305.20 g/mol
Exact Mass305.06
IUPAC Name3-ethyl-6-(2-iodopropan-2-yl)-1,4-dimethyl-2H-pyridine
SMILESCCC1=C(C)C=C(C(C)(C)I)N(C)C1
InChIInChI=1S/C12H20IN/c1-6-10-8-14(5)11(7-9(10)2)12(3,4)13/h7H,6,8H2,1-5H3
InChIKeyDZIBICCMDPGXKU-UHFFFAOYSA-N
XLogP3.76
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.20
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-6-(2-iodopropan-2-yl)-1,4-dimethyl-2H-pyridine?
The IUPAC name of 3-ethyl-6-(2-iodopropan-2-yl)-1,4-dimethyl-2H-pyridine (CID 139378733) is 3-ethyl-6-(2-iodopropan-2-yl)-1,4-dimethyl-2H-pyridine.
What is the SMILES notation for 3-ethyl-6-(2-iodopropan-2-yl)-1,4-dimethyl-2H-pyridine?
The canonical SMILES for 3-ethyl-6-(2-iodopropan-2-yl)-1,4-dimethyl-2H-pyridine is CCC1=C(C)C=C(C(C)(C)I)N(C)C1.
What is the InChIKey of 3-ethyl-6-(2-iodopropan-2-yl)-1,4-dimethyl-2H-pyridine?
The InChIKey is DZIBICCMDPGXKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20IN/c1-6-10-8-14(5)11(7-9(10)2)12(3,4)13/h7H,6,8H2,1-5H3.
What are the key properties of 3-ethyl-6-(2-iodopropan-2-yl)-1,4-dimethyl-2H-pyridine?
3-ethyl-6-(2-iodopropan-2-yl)-1,4-dimethyl-2H-pyridine has a molecular weight of 305.20 g/mol, XLogP of 3.76, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-6-(2-iodopropan-2-yl)-1,4-dimethyl-2H-pyridine is sourced from PubChem (CID 139378733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).