2-[(1,5-dimethylpyrazol-4-yl)methylidene]-N-(2-methoxyethyl)-3-methylbutan-1-amine

C14H25N3O — CID 79595252

IUPAC2-[(1,5-dimethylpyrazol-4-yl)methylidene]-N-(2-methoxyethyl)-3-methylbutan-1-amine
SMILESCOCCNCC(=Cc1cnn(C)c1C)C(C)C
InChIInChI=1S/C14H25N3O/c1-11(2)13(9-15-6-7-18-5)8-14-10-16-17(4)12(14)3/h8,10-11,15H,6-7,9H2,1-5H3
InChIKeyNBXMKEZXXRLFQU-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.00
Rot. Bonds7

About 2-[(1,5-dimethylpyrazol-4-yl)methylidene]-N-(2-methoxyethyl)-3-methylbutan-1-amine

2-[(1,5-dimethylpyrazol-4-yl)methylidene]-N-(2-methoxyethyl)-3-methylbutan-1-amine (PubChem CID 79595252) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is 2-[(1,5-dimethylpyrazol-4-yl)methylidene]-N-(2-methoxyethyl)-3-methylbutan-1-amine.

Molecular Properties

Compound Name2-[(1,5-dimethylpyrazol-4-yl)methylidene]-N-(2-methoxyethyl)-3-methylbutan-1-amine
PubChem CID79595252
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name2-[(1,5-dimethylpyrazol-4-yl)methylidene]-N-(2-methoxyethyl)-3-methylbutan-1-amine
SMILESCOCCNCC(=Cc1cnn(C)c1C)C(C)C
InChIInChI=1S/C14H25N3O/c1-11(2)13(9-15-6-7-18-5)8-14-10-16-17(4)12(14)3/h8,10-11,15H,6-7,9H2,1-5H3
InChIKeyNBXMKEZXXRLFQU-UHFFFAOYSA-N
XLogP2.00
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.00
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

N-(2-methoxyethyl)-3-methyl-2-[(2,4,5-trimethylphenyl)methylidene]butan-1-amine
CID 79347105
4-(1,5-dimethylpyrazol-4-yl)-3-methylbut-3-en-2-ol
CID 103091233
(2E)-2-[(3,5-difluorophenyl)methylidene]-N-(2-methoxyethyl)-3-methylbutan-1-amine
CID 106534568
4-(1,5-dimethylpyrazol-4-yl)-N-(2-methoxyethyl)butan-1-amine
CID 79584245
N-(2-methoxyethyl)-3-methyl-2-[(3-methylphenyl)methylidene]butan-1-amine
CID 79347991
2-[(5-bromothiophen-2-yl)methylidene]-N-(2-methoxyethyl)-3-methylbutan-1-amine
CID 79339930
2-[(2,6-difluorophenyl)methylidene]-N-(2-methoxyethyl)-3-methylbutan-1-amine
CID 79347760
2-(1-benzothiophen-3-ylmethylidene)-N-(2-methoxyethyl)-3-methylbutan-1-amine
CID 79339843
N-(2-methoxyethyl)-3-methyl-2-[(6-methylimidazo[2,1-b][1,3]thiazol-5-yl)methylidene]butan-1-amine
CID 79346775
2-[(3,4-dimethoxyphenyl)methylidene]-N-(2-methoxyethyl)-3-methylbutan-1-amine
CID 79342914
2-[(3-bromophenyl)methylidene]-N-(2-methoxyethyl)-3-methylbutan-1-amine
CID 79347877
2-methoxy-N-[[5-methyl-1-(4-methylpentyl)pyrazol-4-yl]methyl]ethanamine
CID 83169846

Frequently Asked Questions

What is the IUPAC name of 2-[(1,5-dimethylpyrazol-4-yl)methylidene]-N-(2-methoxyethyl)-3-methylbutan-1-amine?
The IUPAC name of 2-[(1,5-dimethylpyrazol-4-yl)methylidene]-N-(2-methoxyethyl)-3-methylbutan-1-amine (CID 79595252) is 2-[(1,5-dimethylpyrazol-4-yl)methylidene]-N-(2-methoxyethyl)-3-methylbutan-1-amine.
What is the SMILES notation for 2-[(1,5-dimethylpyrazol-4-yl)methylidene]-N-(2-methoxyethyl)-3-methylbutan-1-amine?
The canonical SMILES for 2-[(1,5-dimethylpyrazol-4-yl)methylidene]-N-(2-methoxyethyl)-3-methylbutan-1-amine is COCCNCC(=Cc1cnn(C)c1C)C(C)C.
What is the InChIKey of 2-[(1,5-dimethylpyrazol-4-yl)methylidene]-N-(2-methoxyethyl)-3-methylbutan-1-amine?
The InChIKey is NBXMKEZXXRLFQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-11(2)13(9-15-6-7-18-5)8-14-10-16-17(4)12(14)3/h8,10-11,15H,6-7,9H2,1-5H3.
What are the key properties of 2-[(1,5-dimethylpyrazol-4-yl)methylidene]-N-(2-methoxyethyl)-3-methylbutan-1-amine?
2-[(1,5-dimethylpyrazol-4-yl)methylidene]-N-(2-methoxyethyl)-3-methylbutan-1-amine has a molecular weight of 251.37 g/mol, XLogP of 2.00, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1,5-dimethylpyrazol-4-yl)methylidene]-N-(2-methoxyethyl)-3-methylbutan-1-amine is sourced from PubChem (CID 79595252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).