2-ethoxy-2-ethyl-N-methyl-1-(2-methylpyrazol-3-yl)butan-1-amine

C13H25N3O — CID 116759874

IUPAC2-ethoxy-2-ethyl-N-methyl-1-(2-methylpyrazol-3-yl)butan-1-amine
SMILESCCOC(CC)(CC)C(NC)c1ccnn1C
InChIInChI=1S/C13H25N3O/c1-6-13(7-2,17-8-3)12(14-4)11-9-10-15-16(11)5/h9-10,12,14H,6-8H2,1-5H3
InChIKeyAOOMEVRVISLOJU-UHFFFAOYSA-N
MW239.36 g/mol
LogP2.28
Rot. Bonds7

About 2-ethoxy-2-ethyl-N-methyl-1-(2-methylpyrazol-3-yl)butan-1-amine

2-ethoxy-2-ethyl-N-methyl-1-(2-methylpyrazol-3-yl)butan-1-amine (PubChem CID 116759874) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is 2-ethoxy-2-ethyl-N-methyl-1-(2-methylpyrazol-3-yl)butan-1-amine.

Molecular Properties

Compound Name2-ethoxy-2-ethyl-N-methyl-1-(2-methylpyrazol-3-yl)butan-1-amine
PubChem CID116759874
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name2-ethoxy-2-ethyl-N-methyl-1-(2-methylpyrazol-3-yl)butan-1-amine
SMILESCCOC(CC)(CC)C(NC)c1ccnn1C
InChIInChI=1S/C13H25N3O/c1-6-13(7-2,17-8-3)12(14-4)11-9-10-15-16(11)5/h9-10,12,14H,6-8H2,1-5H3
InChIKeyAOOMEVRVISLOJU-UHFFFAOYSA-N
XLogP2.28
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-N,2-N-diethyl-1-N,2-dimethyl-1-(2-methylpyrazol-3-yl)butane-1,2-diamine
CID 79068676
[2,2-dimethyl-1-(2-methylpyrazol-3-yl)butyl]hydrazine
CID 105307536
2-ethoxy-2-ethyl-N-methyl-1-quinolin-8-ylbutan-1-amine
CID 116759944
3,3,3-trifluoro-N-methyl-1-(2-methylpyrazol-3-yl)propan-1-amine
CID 63963299
2-ethoxy-2-ethyl-N-methyl-1-(2-methylphenyl)butan-1-amine
CID 116759979
4-ethoxy-4-ethyl-1-(2-methylpyrazol-3-yl)-N-propylhexan-3-amine
CID 103012429
N-methyl-1-(2-methylpyrazol-3-yl)undecan-1-amine
CID 105138251
2-methoxy-N,3,3-trimethyl-1-(2-methylpyrazol-3-yl)butan-1-amine
CID 116724449
1-(4-ethylphenyl)-N-methyl-1-(2-methylpyrazol-3-yl)methanamine
CID 63962866
1-(2,3-dimethylphenyl)-2-ethoxy-2-ethyl-N-methylbutan-1-amine
CID 116759826
2,2-dimethyl-N-[1-(2-methylpyrazol-3-yl)ethyl]butan-1-amine
CID 106758170
2-methoxy-N-methyl-2-(2-methylpyrazol-3-yl)ethanamine
CID 83827130

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-2-ethyl-N-methyl-1-(2-methylpyrazol-3-yl)butan-1-amine?
The IUPAC name of 2-ethoxy-2-ethyl-N-methyl-1-(2-methylpyrazol-3-yl)butan-1-amine (CID 116759874) is 2-ethoxy-2-ethyl-N-methyl-1-(2-methylpyrazol-3-yl)butan-1-amine.
What is the SMILES notation for 2-ethoxy-2-ethyl-N-methyl-1-(2-methylpyrazol-3-yl)butan-1-amine?
The canonical SMILES for 2-ethoxy-2-ethyl-N-methyl-1-(2-methylpyrazol-3-yl)butan-1-amine is CCOC(CC)(CC)C(NC)c1ccnn1C.
What is the InChIKey of 2-ethoxy-2-ethyl-N-methyl-1-(2-methylpyrazol-3-yl)butan-1-amine?
The InChIKey is AOOMEVRVISLOJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-6-13(7-2,17-8-3)12(14-4)11-9-10-15-16(11)5/h9-10,12,14H,6-8H2,1-5H3.
What are the key properties of 2-ethoxy-2-ethyl-N-methyl-1-(2-methylpyrazol-3-yl)butan-1-amine?
2-ethoxy-2-ethyl-N-methyl-1-(2-methylpyrazol-3-yl)butan-1-amine has a molecular weight of 239.36 g/mol, XLogP of 2.28, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-2-ethyl-N-methyl-1-(2-methylpyrazol-3-yl)butan-1-amine is sourced from PubChem (CID 116759874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).