2-ethoxy-N-ethyl-1-(1-ethylpyrazol-4-yl)-2-methylpropan-1-amine

C13H25N3O — CID 116726746

IUPAC2-ethoxy-N-ethyl-1-(1-ethylpyrazol-4-yl)-2-methylpropan-1-amine
SMILESCCNC(c1cnn(CC)c1)C(C)(C)OCC
InChIInChI=1S/C13H25N3O/c1-6-14-12(13(4,5)17-8-3)11-9-15-16(7-2)10-11/h9-10,12,14H,6-8H2,1-5H3
InChIKeyBKINIPXFDJIBGN-UHFFFAOYSA-N
MW239.36 g/mol
LogP2.37
Rot. Bonds7

About 2-ethoxy-N-ethyl-1-(1-ethylpyrazol-4-yl)-2-methylpropan-1-amine

2-ethoxy-N-ethyl-1-(1-ethylpyrazol-4-yl)-2-methylpropan-1-amine (PubChem CID 116726746) has the molecular formula C13H25N3O and a molecular weight of 239.36 g/mol. Its IUPAC name is 2-ethoxy-N-ethyl-1-(1-ethylpyrazol-4-yl)-2-methylpropan-1-amine.

Molecular Properties

Compound Name2-ethoxy-N-ethyl-1-(1-ethylpyrazol-4-yl)-2-methylpropan-1-amine
PubChem CID116726746
Molecular FormulaC13H25N3O
Molecular Weight239.36 g/mol
Exact Mass239.20
IUPAC Name2-ethoxy-N-ethyl-1-(1-ethylpyrazol-4-yl)-2-methylpropan-1-amine
SMILESCCNC(c1cnn(CC)c1)C(C)(C)OCC
InChIInChI=1S/C13H25N3O/c1-6-14-12(13(4,5)17-8-3)11-9-15-16(7-2)10-11/h9-10,12,14H,6-8H2,1-5H3
InChIKeyBKINIPXFDJIBGN-UHFFFAOYSA-N
XLogP2.37
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 ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-ethoxy-N-ethyl-1-(1-ethylpyrazol-4-yl)-2-methylpropan-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-ethoxy-1-(1-ethylpyrazol-4-yl)-3,3-dimethyl-N-propylbutan-1-amine
CID 116725959
N-ethyl-2,2-dimethyl-1-(1-methylpyrazol-4-yl)propan-1-amine
CID 43492399
3-ethoxy-1-(1-ethylpyrazol-4-yl)propan-1-amine
CID 105109341
1-(1-ethylpyrazol-4-yl)-2-methoxy-3,3-dimethyl-N-propylbutan-1-amine
CID 116724937
2-ethoxy-N-ethyl-1-(3-fluoro-5-methylphenyl)-2-methylpropan-1-amine
CID 116726963
N-ethyl-1-(1-ethylpyrazol-4-yl)pentan-1-amine
CID 79405457
N-ethyl-2,2-dimethyl-1-(1-methylpyrazol-4-yl)butan-1-amine
CID 115808764
N-[1-(1-ethylpyrazol-4-yl)ethyl]-3,3-dimethylbutan-1-amine
CID 115712805
N-ethyl-1-(1-ethylpyrazol-4-yl)-2-propan-2-ylsulfanylethanamine
CID 65132015
N-[(1-ethylpyrazol-4-yl)-(2,2,3,3-tetramethylcyclopropyl)methyl]ethanamine
CID 115816305
N-ethyl-1-(1-ethylpyrazol-4-yl)-3,3-dimethylbutan-2-amine
CID 62126621
2-ethoxy-N-ethyl-2-methyl-1-quinolin-6-ylpropan-1-amine
CID 116726919

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-ethyl-1-(1-ethylpyrazol-4-yl)-2-methylpropan-1-amine?
The IUPAC name of 2-ethoxy-N-ethyl-1-(1-ethylpyrazol-4-yl)-2-methylpropan-1-amine (CID 116726746) is 2-ethoxy-N-ethyl-1-(1-ethylpyrazol-4-yl)-2-methylpropan-1-amine.
What is the SMILES notation for 2-ethoxy-N-ethyl-1-(1-ethylpyrazol-4-yl)-2-methylpropan-1-amine?
The canonical SMILES for 2-ethoxy-N-ethyl-1-(1-ethylpyrazol-4-yl)-2-methylpropan-1-amine is CCNC(c1cnn(CC)c1)C(C)(C)OCC.
What is the InChIKey of 2-ethoxy-N-ethyl-1-(1-ethylpyrazol-4-yl)-2-methylpropan-1-amine?
The InChIKey is BKINIPXFDJIBGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3O/c1-6-14-12(13(4,5)17-8-3)11-9-15-16(7-2)10-11/h9-10,12,14H,6-8H2,1-5H3.
What are the key properties of 2-ethoxy-N-ethyl-1-(1-ethylpyrazol-4-yl)-2-methylpropan-1-amine?
2-ethoxy-N-ethyl-1-(1-ethylpyrazol-4-yl)-2-methylpropan-1-amine has a molecular weight of 239.36 g/mol, XLogP of 2.37, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-ethyl-1-(1-ethylpyrazol-4-yl)-2-methylpropan-1-amine is sourced from PubChem (CID 116726746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).