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

C17H33N3O — CID 116726981

IUPAC3-ethoxy-N-ethyl-3-methyl-1-(1-pentan-3-ylpyrazol-3-yl)butan-2-amine
SMILESCCNC(Cc1ccn(C(CC)CC)n1)C(C)(C)OCC
InChIInChI=1S/C17H33N3O/c1-7-15(8-2)20-12-11-14(19-20)13-16(18-9-3)17(5,6)21-10-4/h11-12,15-16,18H,7-10,13H2,1-6H3
InChIKeyKINSLSKJYFTZTF-UHFFFAOYSA-N
MW295.47 g/mol
LogP3.58
Rot. Bonds10

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

3-ethoxy-N-ethyl-3-methyl-1-(1-pentan-3-ylpyrazol-3-yl)butan-2-amine (PubChem CID 116726981) has the molecular formula C17H33N3O and a molecular weight of 295.47 g/mol. Its IUPAC name is 3-ethoxy-N-ethyl-3-methyl-1-(1-pentan-3-ylpyrazol-3-yl)butan-2-amine.

Molecular Properties

Compound Name3-ethoxy-N-ethyl-3-methyl-1-(1-pentan-3-ylpyrazol-3-yl)butan-2-amine
PubChem CID116726981
Molecular FormulaC17H33N3O
Molecular Weight295.47 g/mol
Exact Mass295.26
IUPAC Name3-ethoxy-N-ethyl-3-methyl-1-(1-pentan-3-ylpyrazol-3-yl)butan-2-amine
SMILESCCNC(Cc1ccn(C(CC)CC)n1)C(C)(C)OCC
InChIInChI=1S/C17H33N3O/c1-7-15(8-2)20-12-11-14(19-20)13-16(18-9-3)17(5,6)21-10-4/h11-12,15-16,18H,7-10,13H2,1-6H3
InChIKeyKINSLSKJYFTZTF-UHFFFAOYSA-N
XLogP3.58
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.47
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-ethoxy-N,3-dimethyl-1-(1-pentan-3-ylpyrazol-3-yl)butan-2-amine
CID 116726693
3-methoxy-N,3-dimethyl-1-(1-pentan-3-ylpyrazol-3-yl)butan-2-amine
CID 79198132
N-ethyl-2,2-dimethyl-6-(1-pentan-3-ylpyrazol-3-yl)hexan-3-amine
CID 64777204
3-ethoxy-3-methyl-1-(1-pentan-3-ylpyrazol-3-yl)pentan-2-amine
CID 116758671
3-methoxy-N,3-dimethyl-1-(1-pentan-3-ylpyrazol-3-yl)pentan-2-amine
CID 116757813
N-ethyl-2-(1-pentan-3-ylpyrazol-3-yl)-1-phenylethanamine
CID 64777619
3-ethoxy-N-ethyl-1-(3-ethyl-1-methylpyrazol-5-yl)-3-methylbutan-2-amine
CID 116726711
N-ethyl-3-methoxy-3-methyl-1-(1-propan-2-ylpyrazol-3-yl)pentan-2-amine
CID 116758057
3-ethoxy-N-ethyl-1-(4-ethylphenyl)-3-methylbutan-2-amine
CID 116726891
3-ethoxy-4,4-dimethyl-1-(1-pentan-3-ylpyrazol-3-yl)pentan-2-ol
CID 116713320
1-(1-pentan-3-ylpyrazol-3-yl)-N-propylpropan-2-amine
CID 64777620
N-[2-fluoro-3-(1-pentan-3-ylpyrazol-3-yl)propyl]-2-methylpropan-2-amine
CID 107446754

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-N-ethyl-3-methyl-1-(1-pentan-3-ylpyrazol-3-yl)butan-2-amine?
The IUPAC name of 3-ethoxy-N-ethyl-3-methyl-1-(1-pentan-3-ylpyrazol-3-yl)butan-2-amine (CID 116726981) is 3-ethoxy-N-ethyl-3-methyl-1-(1-pentan-3-ylpyrazol-3-yl)butan-2-amine.
What is the SMILES notation for 3-ethoxy-N-ethyl-3-methyl-1-(1-pentan-3-ylpyrazol-3-yl)butan-2-amine?
The canonical SMILES for 3-ethoxy-N-ethyl-3-methyl-1-(1-pentan-3-ylpyrazol-3-yl)butan-2-amine is CCNC(Cc1ccn(C(CC)CC)n1)C(C)(C)OCC.
What is the InChIKey of 3-ethoxy-N-ethyl-3-methyl-1-(1-pentan-3-ylpyrazol-3-yl)butan-2-amine?
The InChIKey is KINSLSKJYFTZTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3O/c1-7-15(8-2)20-12-11-14(19-20)13-16(18-9-3)17(5,6)21-10-4/h11-12,15-16,18H,7-10,13H2,1-6H3.
What are the key properties of 3-ethoxy-N-ethyl-3-methyl-1-(1-pentan-3-ylpyrazol-3-yl)butan-2-amine?
3-ethoxy-N-ethyl-3-methyl-1-(1-pentan-3-ylpyrazol-3-yl)butan-2-amine has a molecular weight of 295.47 g/mol, XLogP of 3.58, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-N-ethyl-3-methyl-1-(1-pentan-3-ylpyrazol-3-yl)butan-2-amine is sourced from PubChem (CID 116726981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).