2-[(3-tert-butyl-1-methylpyrazol-4-yl)methylidene]-N-(2-methoxyethyl)butan-1-amine

C16H29N3O — CID 83094731

IUPAC2-[(3-tert-butyl-1-methylpyrazol-4-yl)methylidene]-N-(2-methoxyethyl)butan-1-amine
SMILESCCC(=Cc1cn(C)nc1C(C)(C)C)CNCCOC
InChIInChI=1S/C16H29N3O/c1-7-13(11-17-8-9-20-6)10-14-12-19(5)18-15(14)16(2,3)4/h10,12,17H,7-9,11H2,1-6H3
InChIKeyRGJGZENNRDNZBF-UHFFFAOYSA-N
MW279.43 g/mol
LogP2.75
Rot. Bonds7

About 2-[(3-tert-butyl-1-methylpyrazol-4-yl)methylidene]-N-(2-methoxyethyl)butan-1-amine

2-[(3-tert-butyl-1-methylpyrazol-4-yl)methylidene]-N-(2-methoxyethyl)butan-1-amine (PubChem CID 83094731) has the molecular formula C16H29N3O and a molecular weight of 279.43 g/mol. Its IUPAC name is 2-[(3-tert-butyl-1-methylpyrazol-4-yl)methylidene]-N-(2-methoxyethyl)butan-1-amine.

Molecular Properties

Compound Name2-[(3-tert-butyl-1-methylpyrazol-4-yl)methylidene]-N-(2-methoxyethyl)butan-1-amine
PubChem CID83094731
Molecular FormulaC16H29N3O
Molecular Weight279.43 g/mol
Exact Mass279.23
IUPAC Name2-[(3-tert-butyl-1-methylpyrazol-4-yl)methylidene]-N-(2-methoxyethyl)butan-1-amine
SMILESCCC(=Cc1cn(C)nc1C(C)(C)C)CNCCOC
InChIInChI=1S/C16H29N3O/c1-7-13(11-17-8-9-20-6)10-14-12-19(5)18-15(14)16(2,3)4/h10,12,17H,7-9,11H2,1-6H3
InChIKeyRGJGZENNRDNZBF-UHFFFAOYSA-N
XLogP2.75
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(3-tert-butyl-1-methylpyrazol-4-yl)-N-(2-methoxyethyl)-2-methylprop-2-en-1-amine
CID 83094104
2-[(3-tert-butyl-1-methylpyrazol-4-yl)methylidene]-N-methylbutan-1-amine
CID 83093792
2-[(2,3-dimethylphenyl)methylidene]-N-(2-methoxyethyl)butan-1-amine
CID 79338864
2-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylidene]-N-(2-methoxyethyl)butan-1-amine
CID 104860914
2-[(2,5-dimethoxyphenyl)methylidene]-N-(2-methoxyethyl)butan-1-amine
CID 79338857
2-[(2-bromo-5-chlorophenyl)methylidene]-N-(2-methoxyethyl)butan-1-amine
CID 79339677
2-[(4-imidazol-1-ylphenyl)methylidene]-N-(2-methoxyethyl)butan-1-amine
CID 79341716
2-[(5-bromo-2-propoxyphenyl)methylidene]-N-(2-methoxyethyl)butan-1-amine
CID 79341715
N-[(3-tert-butyl-1-methylpyrazol-4-yl)methyl]-2-ethoxyethanamine
CID 83083257
N-(2-methoxyethyl)-2-[(1-methyl-2,3-dihydroindol-5-yl)methylidene]butan-1-amine
CID 79338765
N-(2-methoxyethyl)-2-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]butan-1-amine
CID 79339937
2-[(6-chloroimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]-N-(2-methoxyethyl)butan-1-amine
CID 79339051

Frequently Asked Questions

What is the IUPAC name of 2-[(3-tert-butyl-1-methylpyrazol-4-yl)methylidene]-N-(2-methoxyethyl)butan-1-amine?
The IUPAC name of 2-[(3-tert-butyl-1-methylpyrazol-4-yl)methylidene]-N-(2-methoxyethyl)butan-1-amine (CID 83094731) is 2-[(3-tert-butyl-1-methylpyrazol-4-yl)methylidene]-N-(2-methoxyethyl)butan-1-amine.
What is the SMILES notation for 2-[(3-tert-butyl-1-methylpyrazol-4-yl)methylidene]-N-(2-methoxyethyl)butan-1-amine?
The canonical SMILES for 2-[(3-tert-butyl-1-methylpyrazol-4-yl)methylidene]-N-(2-methoxyethyl)butan-1-amine is CCC(=Cc1cn(C)nc1C(C)(C)C)CNCCOC.
What is the InChIKey of 2-[(3-tert-butyl-1-methylpyrazol-4-yl)methylidene]-N-(2-methoxyethyl)butan-1-amine?
The InChIKey is RGJGZENNRDNZBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O/c1-7-13(11-17-8-9-20-6)10-14-12-19(5)18-15(14)16(2,3)4/h10,12,17H,7-9,11H2,1-6H3.
What are the key properties of 2-[(3-tert-butyl-1-methylpyrazol-4-yl)methylidene]-N-(2-methoxyethyl)butan-1-amine?
2-[(3-tert-butyl-1-methylpyrazol-4-yl)methylidene]-N-(2-methoxyethyl)butan-1-amine has a molecular weight of 279.43 g/mol, XLogP of 2.75, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-tert-butyl-1-methylpyrazol-4-yl)methylidene]-N-(2-methoxyethyl)butan-1-amine is sourced from PubChem (CID 83094731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).