2-[(2,5-dimethylpyrazol-3-yl)methyl]-N-(2-methoxyethyl)-3,3-dimethylbutan-1-amine

C15H29N3O — CID 83139258

IUPAC2-[(2,5-dimethylpyrazol-3-yl)methyl]-N-(2-methoxyethyl)-3,3-dimethylbutan-1-amine
SMILESCOCCNCC(Cc1cc(C)nn1C)C(C)(C)C
InChIInChI=1S/C15H29N3O/c1-12-9-14(18(5)17-12)10-13(15(2,3)4)11-16-7-8-19-6/h9,13,16H,7-8,10-11H2,1-6H3
InChIKeySLLFAADKJNAEEP-UHFFFAOYSA-N
MW267.42 g/mol
LogP2.17
Rot. Bonds7

About 2-[(2,5-dimethylpyrazol-3-yl)methyl]-N-(2-methoxyethyl)-3,3-dimethylbutan-1-amine

2-[(2,5-dimethylpyrazol-3-yl)methyl]-N-(2-methoxyethyl)-3,3-dimethylbutan-1-amine (PubChem CID 83139258) has the molecular formula C15H29N3O and a molecular weight of 267.42 g/mol. Its IUPAC name is 2-[(2,5-dimethylpyrazol-3-yl)methyl]-N-(2-methoxyethyl)-3,3-dimethylbutan-1-amine.

Molecular Properties

Compound Name2-[(2,5-dimethylpyrazol-3-yl)methyl]-N-(2-methoxyethyl)-3,3-dimethylbutan-1-amine
PubChem CID83139258
Molecular FormulaC15H29N3O
Molecular Weight267.42 g/mol
Exact Mass267.23
IUPAC Name2-[(2,5-dimethylpyrazol-3-yl)methyl]-N-(2-methoxyethyl)-3,3-dimethylbutan-1-amine
SMILESCOCCNCC(Cc1cc(C)nn1C)C(C)(C)C
InChIInChI=1S/C15H29N3O/c1-12-9-14(18(5)17-12)10-13(15(2,3)4)11-16-7-8-19-6/h9,13,16H,7-8,10-11H2,1-6H3
InChIKeySLLFAADKJNAEEP-UHFFFAOYSA-N
XLogP2.17
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[(2,5-dimethylpyrazol-3-yl)methyl]-N-(2-methoxyethyl)-3,3-dimethylbutan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(2,5-dimethylphenyl)methyl]-N-(2-methoxyethyl)-3,3-dimethylbutan-1-amine
CID 83139642
N-(2-methoxyethyl)-3,3-dimethyl-2-[2-(2-methylpyrazol-3-yl)ethyl]butan-1-amine
CID 103014785
[1-(2,5-dimethylpyrazol-3-yl)-5-methoxypentan-2-yl]hydrazine
CID 105225066
2-[(4-chloro-1-ethyl-3-methylpyrazol-5-yl)methyl]-N-(2-methoxyethyl)-3,3-dimethylbutan-1-amine
CID 83141541
2-[(4-chlorophenyl)methyl]-N-(2-methoxyethyl)-3,3-dimethylbutan-1-amine
CID 83139452
1-(2,5-dimethylpyrazol-3-yl)-3-methoxy-3-methylbutan-2-ol
CID 79198449
N-(2-methoxyethyl)-3,3-dimethyl-2-(trimethylsilylmethyl)butan-1-amine
CID 106323897
N-[[1-[(2,5-dimethylpyrazol-3-yl)methyl]pyrrol-3-yl]methyl]-2-methoxyethanamine
CID 66406638
1-(2,5-dimethylpyrazol-3-yl)-4-methoxy-4-methylpentan-2-ol
CID 103027581
1-(2,5-dimethylpyrazol-3-yl)-N-ethyl-3-methoxy-3-methylbutan-2-amine
CID 79198502
1-(2,5-dimethylpyrazol-3-yl)-N-ethyl-3-methoxy-3-methylpentan-2-amine
CID 116757879
1-(2,5-dimethylpyrazol-3-yl)-5-methoxy-4-methyl-N-propylpentan-2-amine
CID 105158603

Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-dimethylpyrazol-3-yl)methyl]-N-(2-methoxyethyl)-3,3-dimethylbutan-1-amine?
The IUPAC name of 2-[(2,5-dimethylpyrazol-3-yl)methyl]-N-(2-methoxyethyl)-3,3-dimethylbutan-1-amine (CID 83139258) is 2-[(2,5-dimethylpyrazol-3-yl)methyl]-N-(2-methoxyethyl)-3,3-dimethylbutan-1-amine.
What is the SMILES notation for 2-[(2,5-dimethylpyrazol-3-yl)methyl]-N-(2-methoxyethyl)-3,3-dimethylbutan-1-amine?
The canonical SMILES for 2-[(2,5-dimethylpyrazol-3-yl)methyl]-N-(2-methoxyethyl)-3,3-dimethylbutan-1-amine is COCCNCC(Cc1cc(C)nn1C)C(C)(C)C.
What is the InChIKey of 2-[(2,5-dimethylpyrazol-3-yl)methyl]-N-(2-methoxyethyl)-3,3-dimethylbutan-1-amine?
The InChIKey is SLLFAADKJNAEEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O/c1-12-9-14(18(5)17-12)10-13(15(2,3)4)11-16-7-8-19-6/h9,13,16H,7-8,10-11H2,1-6H3.
What are the key properties of 2-[(2,5-dimethylpyrazol-3-yl)methyl]-N-(2-methoxyethyl)-3,3-dimethylbutan-1-amine?
2-[(2,5-dimethylpyrazol-3-yl)methyl]-N-(2-methoxyethyl)-3,3-dimethylbutan-1-amine has a molecular weight of 267.42 g/mol, XLogP of 2.17, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-dimethylpyrazol-3-yl)methyl]-N-(2-methoxyethyl)-3,3-dimethylbutan-1-amine is sourced from PubChem (CID 83139258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).