3-ethoxy-N-ethyl-1-(3-ethyl-1-methylpyrazol-5-yl)-3-methylbutan-2-amine

C15H29N3O — CID 116726711

IUPAC3-ethoxy-N-ethyl-1-(3-ethyl-1-methylpyrazol-5-yl)-3-methylbutan-2-amine
SMILESCCNC(Cc1cc(CC)nn1C)C(C)(C)OCC
InChIInChI=1S/C15H29N3O/c1-7-12-10-13(18(6)17-12)11-14(16-8-2)15(4,5)19-9-3/h10,14,16H,7-9,11H2,1-6H3
InChIKeyUNMRTRINYNKIDA-UHFFFAOYSA-N
MW267.42 g/mol
LogP2.32
Rot. Bonds8

About 3-ethoxy-N-ethyl-1-(3-ethyl-1-methylpyrazol-5-yl)-3-methylbutan-2-amine

3-ethoxy-N-ethyl-1-(3-ethyl-1-methylpyrazol-5-yl)-3-methylbutan-2-amine (PubChem CID 116726711) has the molecular formula C15H29N3O and a molecular weight of 267.42 g/mol. Its IUPAC name is 3-ethoxy-N-ethyl-1-(3-ethyl-1-methylpyrazol-5-yl)-3-methylbutan-2-amine.

Molecular Properties

Compound Name3-ethoxy-N-ethyl-1-(3-ethyl-1-methylpyrazol-5-yl)-3-methylbutan-2-amine
PubChem CID116726711
Molecular FormulaC15H29N3O
Molecular Weight267.42 g/mol
Exact Mass267.23
IUPAC Name3-ethoxy-N-ethyl-1-(3-ethyl-1-methylpyrazol-5-yl)-3-methylbutan-2-amine
SMILESCCNC(Cc1cc(CC)nn1C)C(C)(C)OCC
InChIInChI=1S/C15H29N3O/c1-7-12-10-13(18(6)17-12)11-14(16-8-2)15(4,5)19-9-3/h10,14,16H,7-9,11H2,1-6H3
InChIKeyUNMRTRINYNKIDA-UHFFFAOYSA-N
XLogP2.32
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-ethoxy-N-ethyl-1-(3-ethyl-1-methylpyrazol-5-yl)-3-methylbutan-2-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

1-(2,5-dimethylpyrazol-3-yl)-N-ethyl-3-methoxy-3-methylbutan-2-amine
CID 79198502
N-ethyl-1-(3-ethyl-1-methylpyrazol-5-yl)-3-methoxy-4,4-dimethylpentan-2-amine
CID 116724637
N-ethyl-1-(3-ethyl-1-methylpyrazol-5-yl)hexan-2-amine
CID 79405999
3-N,3-N-diethyl-1-(3-ethyl-1-methylpyrazol-5-yl)-2-N,3-dimethylpentane-2,3-diamine
CID 79058059
3-ethoxy-N-ethyl-3-methyl-1-(1-pentan-3-ylpyrazol-3-yl)butan-2-amine
CID 116726981
3-cyclopropyl-N-ethyl-1-(3-ethyl-1-methylpyrazol-5-yl)butan-2-amine
CID 104999070
1-cyclopropyl-N-ethyl-3-(3-ethyl-1-methylpyrazol-5-yl)-1-methoxypropan-2-amine
CID 116722404
3-ethoxy-N-ethyl-1-(4-ethylphenyl)-3-methylbutan-2-amine
CID 116726891
2-[(3-ethyl-1-methylpyrazol-5-yl)methyl]-3,3-dimethyl-N-propan-2-ylbutan-1-amine
CID 83138444
N-ethyl-1-(1-ethylcyclopentyl)-2-(3-ethyl-1-methylpyrazol-5-yl)ethanamine
CID 104999128
1-(3,5-dimethylphenyl)-3-ethoxy-N-ethyl-3-methylbutan-2-amine
CID 116726799
1-(2,5-dimethylpyrazol-3-yl)-N-ethyl-3-methoxy-3-methylpentan-2-amine
CID 116757879

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-ethyl-1-(3-ethyl-1-methylpyrazol-5-yl)-3-methylbutan-2-amine?
The IUPAC name of 3-ethoxy-N-ethyl-1-(3-ethyl-1-methylpyrazol-5-yl)-3-methylbutan-2-amine (CID 116726711) is 3-ethoxy-N-ethyl-1-(3-ethyl-1-methylpyrazol-5-yl)-3-methylbutan-2-amine.
What is the SMILES notation for 3-ethoxy-N-ethyl-1-(3-ethyl-1-methylpyrazol-5-yl)-3-methylbutan-2-amine?
The canonical SMILES for 3-ethoxy-N-ethyl-1-(3-ethyl-1-methylpyrazol-5-yl)-3-methylbutan-2-amine is CCNC(Cc1cc(CC)nn1C)C(C)(C)OCC.
What is the InChIKey of 3-ethoxy-N-ethyl-1-(3-ethyl-1-methylpyrazol-5-yl)-3-methylbutan-2-amine?
The InChIKey is UNMRTRINYNKIDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O/c1-7-12-10-13(18(6)17-12)11-14(16-8-2)15(4,5)19-9-3/h10,14,16H,7-9,11H2,1-6H3.
What are the key properties of 3-ethoxy-N-ethyl-1-(3-ethyl-1-methylpyrazol-5-yl)-3-methylbutan-2-amine?
3-ethoxy-N-ethyl-1-(3-ethyl-1-methylpyrazol-5-yl)-3-methylbutan-2-amine has a molecular weight of 267.42 g/mol, XLogP of 2.32, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-ethyl-1-(3-ethyl-1-methylpyrazol-5-yl)-3-methylbutan-2-amine is sourced from PubChem (CID 116726711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).