N-(2-methoxyethyl)-2-methyl-2-[(1-methylpyrazol-4-yl)methyl]butan-1-amine

C13H25N3O — CID 62719344

IUPACN-(2-methoxyethyl)-2-methyl-2-[(1-methylpyrazol-4-yl)methyl]butan-1-amine
SMILESCCC(C)(CNCCOC)Cc1cnn(C)c1
InChIInChI=1S/C13H25N3O/c1-5-13(2,11-14-6-7-17-4)8-12-9-15-16(3)10-12/h9-10,14H,5-8,11H2,1-4H3
InChIKeyWFGGOGIIIJMQDU-UHFFFAOYSA-N
MW239.36 g/mol
LogP1.61
Rot. Bonds8

About N-(2-methoxyethyl)-2-methyl-2-[(1-methylpyrazol-4-yl)methyl]butan-1-amine

N-(2-methoxyethyl)-2-methyl-2-[(1-methylpyrazol-4-yl)methyl]butan-1-amine (PubChem CID 62719344) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-methyl-2-[(1-methylpyrazol-4-yl)methyl]butan-1-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-methyl-2-[(1-methylpyrazol-4-yl)methyl]butan-1-amine
PubChem CID62719344
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC NameN-(2-methoxyethyl)-2-methyl-2-[(1-methylpyrazol-4-yl)methyl]butan-1-amine
SMILESCCC(C)(CNCCOC)Cc1cnn(C)c1
InChIInChI=1S/C13H25N3O/c1-5-13(2,11-14-6-7-17-4)8-12-9-15-16(3)10-12/h9-10,14H,5-8,11H2,1-4H3
InChIKeyWFGGOGIIIJMQDU-UHFFFAOYSA-N
XLogP1.61
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 51.61
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

2-methyl-2-[(1-methylpyrazol-4-yl)methyl]-N-propylbutan-1-amine
CID 62726284
2-methoxy-N-[(1-methylpyrazol-4-yl)methyl]ethanamine;hydrochloride
CID 126966602
4-methoxy-2-methyl-1-[2-(1-methylpyrazol-4-yl)ethylamino]butan-2-ol
CID 106255495
4-[2-(bromomethyl)-2-methylbutyl]-1-methylpyrazole
CID 66050049
2-[(4-chlorophenyl)methyl]-N-(2-methoxyethyl)-2-methylbutan-1-amine
CID 62720244
3-(1-ethylpyrazol-4-yl)-N-(2-methoxyethyl)-2,2-dimethylpropan-1-amine
CID 62725751
1-(2-methoxyethylamino)-2-(1-methylpyrazol-4-yl)propan-2-ol
CID 66038024
2-cyclopropyl-3-(1-ethylpyrazol-4-yl)-N-(2-methoxyethyl)-2-methylpropan-1-amine
CID 83159628
4-methoxy-2-methyl-1-(1-methylpyrazol-4-yl)butan-2-ol
CID 62127829
1-methoxy-2-methyl-3-(1-methylpyrazol-4-yl)propan-2-ol
CID 62534696
2-[(5-bromo-2-pyridinyl)methyl]-N-(2-methoxyethyl)-2-methylbutan-1-amine
CID 104810681
2-[(3-bromothiophen-2-yl)methyl]-N-(2-methoxyethyl)-2-methylbutan-1-amine
CID 55111248

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2-methyl-2-[(1-methylpyrazol-4-yl)methyl]butan-1-amine?
The IUPAC name of N-(2-methoxyethyl)-2-methyl-2-[(1-methylpyrazol-4-yl)methyl]butan-1-amine (CID 62719344) is N-(2-methoxyethyl)-2-methyl-2-[(1-methylpyrazol-4-yl)methyl]butan-1-amine.
What is the SMILES notation for N-(2-methoxyethyl)-2-methyl-2-[(1-methylpyrazol-4-yl)methyl]butan-1-amine?
The canonical SMILES for N-(2-methoxyethyl)-2-methyl-2-[(1-methylpyrazol-4-yl)methyl]butan-1-amine is CCC(C)(CNCCOC)Cc1cnn(C)c1.
What is the InChIKey of N-(2-methoxyethyl)-2-methyl-2-[(1-methylpyrazol-4-yl)methyl]butan-1-amine?
The InChIKey is WFGGOGIIIJMQDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-5-13(2,11-14-6-7-17-4)8-12-9-15-16(3)10-12/h9-10,14H,5-8,11H2,1-4H3.
What are the key properties of N-(2-methoxyethyl)-2-methyl-2-[(1-methylpyrazol-4-yl)methyl]butan-1-amine?
N-(2-methoxyethyl)-2-methyl-2-[(1-methylpyrazol-4-yl)methyl]butan-1-amine has a molecular weight of 239.36 g/mol, XLogP of 1.61, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2-methyl-2-[(1-methylpyrazol-4-yl)methyl]butan-1-amine is sourced from PubChem (CID 62719344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).