(2E)-3-methyl-2-[(5-methyl-2-pyridinyl)methylidene]-N-propan-2-ylbutan-1-amine

C15H24N2 — CID 81313344

IUPAC(2E)-3-methyl-2-[(5-methyl-2-pyridinyl)methylidene]-N-propan-2-ylbutan-1-amine
SMILESCc1ccc(/C=C(/CNC(C)C)C(C)C)nc1
InChIInChI=1S/C15H24N2/c1-11(2)14(10-16-12(3)4)8-15-7-6-13(5)9-17-15/h6-9,11-12,16H,10H2,1-5H3/b14-8-
InChIKeyZBHBIYXIUFLQBU-ZSOIEALJSA-N
MW232.37 g/mol
LogP3.43
Rot. Bonds5

About (2E)-3-methyl-2-[(5-methyl-2-pyridinyl)methylidene]-N-propan-2-ylbutan-1-amine

(2E)-3-methyl-2-[(5-methyl-2-pyridinyl)methylidene]-N-propan-2-ylbutan-1-amine (PubChem CID 81313344) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is (2E)-3-methyl-2-[(5-methyl-2-pyridinyl)methylidene]-N-propan-2-ylbutan-1-amine.

Molecular Properties

Compound Name(2E)-3-methyl-2-[(5-methyl-2-pyridinyl)methylidene]-N-propan-2-ylbutan-1-amine
PubChem CID81313344
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC Name(2E)-3-methyl-2-[(5-methyl-2-pyridinyl)methylidene]-N-propan-2-ylbutan-1-amine
SMILESCc1ccc(/C=C(/CNC(C)C)C(C)C)nc1
InChIInChI=1S/C15H24N2/c1-11(2)14(10-16-12(3)4)8-15-7-6-13(5)9-17-15/h6-9,11-12,16H,10H2,1-5H3/b14-8-
InChIKeyZBHBIYXIUFLQBU-ZSOIEALJSA-N
XLogP3.43
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2E)-3-methyl-2-[(5-methyl-2-pyridinyl)methylidene]-N-propan-2-ylbutan-1-amine?
The IUPAC name of (2E)-3-methyl-2-[(5-methyl-2-pyridinyl)methylidene]-N-propan-2-ylbutan-1-amine (CID 81313344) is (2E)-3-methyl-2-[(5-methyl-2-pyridinyl)methylidene]-N-propan-2-ylbutan-1-amine.
What is the SMILES notation for (2E)-3-methyl-2-[(5-methyl-2-pyridinyl)methylidene]-N-propan-2-ylbutan-1-amine?
The canonical SMILES for (2E)-3-methyl-2-[(5-methyl-2-pyridinyl)methylidene]-N-propan-2-ylbutan-1-amine is Cc1ccc(/C=C(/CNC(C)C)C(C)C)nc1.
What is the InChIKey of (2E)-3-methyl-2-[(5-methyl-2-pyridinyl)methylidene]-N-propan-2-ylbutan-1-amine?
The InChIKey is ZBHBIYXIUFLQBU-ZSOIEALJSA-N. The full InChI is InChI=1S/C15H24N2/c1-11(2)14(10-16-12(3)4)8-15-7-6-13(5)9-17-15/h6-9,11-12,16H,10H2,1-5H3/b14-8-.
What are the key properties of (2E)-3-methyl-2-[(5-methyl-2-pyridinyl)methylidene]-N-propan-2-ylbutan-1-amine?
(2E)-3-methyl-2-[(5-methyl-2-pyridinyl)methylidene]-N-propan-2-ylbutan-1-amine has a molecular weight of 232.37 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-3-methyl-2-[(5-methyl-2-pyridinyl)methylidene]-N-propan-2-ylbutan-1-amine is sourced from PubChem (CID 81313344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).