2-[(3,5-dibromo-2-pyridinyl)methylidene]-N-(2-methylpropyl)butan-1-amine

C14H20Br2N2 — CID 113394137

IUPAC2-[(3,5-dibromo-2-pyridinyl)methylidene]-N-(2-methylpropyl)butan-1-amine
SMILESCCC(=Cc1ncc(Br)cc1Br)CNCC(C)C
InChIInChI=1S/C14H20Br2N2/c1-4-11(8-17-7-10(2)3)5-14-13(16)6-12(15)9-18-14/h5-6,9-10,17H,4,7-8H2,1-3H3
InChIKeyFVYBLRFJRQPJEA-UHFFFAOYSA-N
MW376.14 g/mol
LogP4.65
Rot. Bonds6

About 2-[(3,5-dibromo-2-pyridinyl)methylidene]-N-(2-methylpropyl)butan-1-amine

2-[(3,5-dibromo-2-pyridinyl)methylidene]-N-(2-methylpropyl)butan-1-amine (PubChem CID 113394137) has the molecular formula C14H20Br2N2 and a molecular weight of 376.14 g/mol. Its IUPAC name is 2-[(3,5-dibromo-2-pyridinyl)methylidene]-N-(2-methylpropyl)butan-1-amine.

Molecular Properties

Compound Name2-[(3,5-dibromo-2-pyridinyl)methylidene]-N-(2-methylpropyl)butan-1-amine
PubChem CID113394137
Molecular FormulaC14H20Br2N2
Molecular Weight376.14 g/mol
Exact Mass374.00
IUPAC Name2-[(3,5-dibromo-2-pyridinyl)methylidene]-N-(2-methylpropyl)butan-1-amine
SMILESCCC(=Cc1ncc(Br)cc1Br)CNCC(C)C
InChIInChI=1S/C14H20Br2N2/c1-4-11(8-17-7-10(2)3)5-14-13(16)6-12(15)9-18-14/h5-6,9-10,17H,4,7-8H2,1-3H3
InChIKeyFVYBLRFJRQPJEA-UHFFFAOYSA-N
XLogP4.65
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.14
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dibromo-2-pyridinyl)methylidene]-N-(2-methylpropyl)butan-1-amine?
The IUPAC name of 2-[(3,5-dibromo-2-pyridinyl)methylidene]-N-(2-methylpropyl)butan-1-amine (CID 113394137) is 2-[(3,5-dibromo-2-pyridinyl)methylidene]-N-(2-methylpropyl)butan-1-amine.
What is the SMILES notation for 2-[(3,5-dibromo-2-pyridinyl)methylidene]-N-(2-methylpropyl)butan-1-amine?
The canonical SMILES for 2-[(3,5-dibromo-2-pyridinyl)methylidene]-N-(2-methylpropyl)butan-1-amine is CCC(=Cc1ncc(Br)cc1Br)CNCC(C)C.
What is the InChIKey of 2-[(3,5-dibromo-2-pyridinyl)methylidene]-N-(2-methylpropyl)butan-1-amine?
The InChIKey is FVYBLRFJRQPJEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20Br2N2/c1-4-11(8-17-7-10(2)3)5-14-13(16)6-12(15)9-18-14/h5-6,9-10,17H,4,7-8H2,1-3H3.
What are the key properties of 2-[(3,5-dibromo-2-pyridinyl)methylidene]-N-(2-methylpropyl)butan-1-amine?
2-[(3,5-dibromo-2-pyridinyl)methylidene]-N-(2-methylpropyl)butan-1-amine has a molecular weight of 376.14 g/mol, XLogP of 4.65, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dibromo-2-pyridinyl)methylidene]-N-(2-methylpropyl)butan-1-amine is sourced from PubChem (CID 113394137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).