(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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Related Compounds

(2Z)-N-tert-butyl-3-methyl-2-[(5-methyl-2-pyridinyl)methylidene]butan-1-amine
CID 81311201
(2E)-3-methyl-N-(2-methylpropyl)-2-[(5-methyl-2-pyridinyl)methylidene]butan-1-amine
CID 81311351
3-methyl-N-propan-2-yl-2-(quinoxalin-2-ylmethylidene)butan-1-amine
CID 79339623
N-(5-methyl-2-pyridinyl)-2-(propan-2-ylamino)acetamide
CID 60841992
(E)-N,3-dimethyl-4-(5-methyl-2-pyridinyl)but-3-en-2-amine
CID 103093164
2-[(Z)-3-chloro-2-methylprop-1-enyl]-5-methylpyridine
CID 81311753
(2Z)-2-[(5-methyl-2-pyridinyl)methylidene]butanal
CID 81312596
2-[[2-(methoxymethyl)phenyl]methylidene]-3-methyl-N-propan-2-ylbutan-1-amine
CID 79338998
N-[(5-methylpyrimidin-2-yl)methyl]propan-2-amine
CID 63321476
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylidene]-3-methyl-N-propan-2-ylbutan-1-amine
CID 79339803
N-(5-methyl-2-pyridinyl)-N'-propan-2-ylethane-1,2-diamine
CID 62664659
2-[(4-imidazol-1-ylphenyl)methylidene]-3-methyl-N-propan-2-ylbutan-1-amine
CID 79342203

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).