3-ethoxy-1-(1-pentan-3-ylpyrazol-3-yl)hexan-2-amine

C16H31N3O — CID 116717615

IUPAC3-ethoxy-1-(1-pentan-3-ylpyrazol-3-yl)hexan-2-amine
SMILESCCCC(OCC)C(N)Cc1ccn(C(CC)CC)n1
InChIInChI=1S/C16H31N3O/c1-5-9-16(20-8-4)15(17)12-13-10-11-19(18-13)14(6-2)7-3/h10-11,14-16H,5-9,12,17H2,1-4H3
InChIKeyPUJYMZFKWYUIII-UHFFFAOYSA-N
MW281.44 g/mol
LogP3.32
Rot. Bonds10

About 3-ethoxy-1-(1-pentan-3-ylpyrazol-3-yl)hexan-2-amine

3-ethoxy-1-(1-pentan-3-ylpyrazol-3-yl)hexan-2-amine (PubChem CID 116717615) has the molecular formula C16H31N3O and a molecular weight of 281.44 g/mol. Its IUPAC name is 3-ethoxy-1-(1-pentan-3-ylpyrazol-3-yl)hexan-2-amine.

Molecular Properties

Compound Name3-ethoxy-1-(1-pentan-3-ylpyrazol-3-yl)hexan-2-amine
PubChem CID116717615
Molecular FormulaC16H31N3O
Molecular Weight281.44 g/mol
Exact Mass281.25
IUPAC Name3-ethoxy-1-(1-pentan-3-ylpyrazol-3-yl)hexan-2-amine
SMILESCCCC(OCC)C(N)Cc1ccn(C(CC)CC)n1
InChIInChI=1S/C16H31N3O/c1-5-9-16(20-8-4)15(17)12-13-10-11-19(18-13)14(6-2)7-3/h10-11,14-16H,5-9,12,17H2,1-4H3
InChIKeyPUJYMZFKWYUIII-UHFFFAOYSA-N
XLogP3.32
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-ethoxy-1-(1-pentan-3-ylpyrazol-3-yl)hexan-2-ol
CID 116711297
[3-ethoxy-1-(1-pentan-3-ylpyrazol-3-yl)pentan-2-yl]hydrazine
CID 105271202
1-(1-pentan-3-ylpyrazol-3-yl)propan-2-amine
CID 64785884
3-ethoxy-1-(1-pentan-3-ylpyrazol-3-yl)-N-propylbutan-2-amine
CID 64779415
1-(1-pentan-3-ylpyrazol-3-yl)-3-propylhexan-2-ol
CID 115808024
1-(1-butan-2-ylpyrazol-3-yl)-3-ethoxy-N-ethylhexan-2-amine
CID 116718183
3-ethoxy-4,4-dimethyl-1-(1-pentan-3-ylpyrazol-3-yl)pentan-2-ol
CID 116713320
3-ethoxy-3-methyl-1-(1-pentan-3-ylpyrazol-3-yl)pentan-2-amine
CID 116758671
(2S)-2-amino-3-(1-pentan-3-ylpyrazol-3-yl)propanoic acid
CID 106702706
1-(1-pentan-3-ylpyrazol-3-yl)propan-2-ol
CID 64785051
1-cycloheptyl-3-(1-pentan-3-ylpyrazol-3-yl)propan-2-amine
CID 104991829
1-(1-pentan-3-ylpyrazol-3-yl)heptan-2-ylhydrazine
CID 105313398

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-1-(1-pentan-3-ylpyrazol-3-yl)hexan-2-amine?
The IUPAC name of 3-ethoxy-1-(1-pentan-3-ylpyrazol-3-yl)hexan-2-amine (CID 116717615) is 3-ethoxy-1-(1-pentan-3-ylpyrazol-3-yl)hexan-2-amine.
What is the SMILES notation for 3-ethoxy-1-(1-pentan-3-ylpyrazol-3-yl)hexan-2-amine?
The canonical SMILES for 3-ethoxy-1-(1-pentan-3-ylpyrazol-3-yl)hexan-2-amine is CCCC(OCC)C(N)Cc1ccn(C(CC)CC)n1.
What is the InChIKey of 3-ethoxy-1-(1-pentan-3-ylpyrazol-3-yl)hexan-2-amine?
The InChIKey is PUJYMZFKWYUIII-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O/c1-5-9-16(20-8-4)15(17)12-13-10-11-19(18-13)14(6-2)7-3/h10-11,14-16H,5-9,12,17H2,1-4H3.
What are the key properties of 3-ethoxy-1-(1-pentan-3-ylpyrazol-3-yl)hexan-2-amine?
3-ethoxy-1-(1-pentan-3-ylpyrazol-3-yl)hexan-2-amine has a molecular weight of 281.44 g/mol, XLogP of 3.32, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-1-(1-pentan-3-ylpyrazol-3-yl)hexan-2-amine is sourced from PubChem (CID 116717615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).