3-butoxy-N-[1-(1-ethylpyrazol-4-yl)ethyl]propan-1-amine

C14H27N3O — CID 115704376

IUPAC3-butoxy-N-[1-(1-ethylpyrazol-4-yl)ethyl]propan-1-amine
SMILESCCCCOCCCNC(C)c1cnn(CC)c1
InChIInChI=1S/C14H27N3O/c1-4-6-9-18-10-7-8-15-13(3)14-11-16-17(5-2)12-14/h11-13,15H,4-10H2,1-3H3
InChIKeyLMSVFTKQELSUNA-UHFFFAOYSA-N
MW253.39 g/mol
LogP2.76
Rot. Bonds10

About 3-butoxy-N-[1-(1-ethylpyrazol-4-yl)ethyl]propan-1-amine

3-butoxy-N-[1-(1-ethylpyrazol-4-yl)ethyl]propan-1-amine (PubChem CID 115704376) has the molecular formula C14H27N3O and a molecular weight of 253.39 g/mol. Its IUPAC name is 3-butoxy-N-[1-(1-ethylpyrazol-4-yl)ethyl]propan-1-amine.

Molecular Properties

Compound Name3-butoxy-N-[1-(1-ethylpyrazol-4-yl)ethyl]propan-1-amine
PubChem CID115704376
Molecular FormulaC14H27N3O
Molecular Weight253.39 g/mol
Exact Mass253.22
IUPAC Name3-butoxy-N-[1-(1-ethylpyrazol-4-yl)ethyl]propan-1-amine
SMILESCCCCOCCCNC(C)c1cnn(CC)c1
InChIInChI=1S/C14H27N3O/c1-4-6-9-18-10-7-8-15-13(3)14-11-16-17(5-2)12-14/h11-13,15H,4-10H2,1-3H3
InChIKeyLMSVFTKQELSUNA-UHFFFAOYSA-N
XLogP2.76
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-cyclopropyl-N-[1-(1-ethylpyrazol-4-yl)ethyl]propan-1-amine
CID 115890826
1-[1-(2-butoxyethyl)pyrazol-4-yl]-N-methylethanamine
CID 62731777
N-[1-(1-ethylpyrazol-4-yl)ethyl]-3,3-dimethylbutan-1-amine
CID 115712805
3-butoxy-N-[1-(4-methoxyphenyl)ethyl]propan-1-amine
CID 115704468
3-butoxy-N-[1-(4-fluorophenyl)ethyl]propan-1-amine
CID 113219272
N-ethyl-1-[1-[3-(2-methoxyethoxy)propyl]pyrazol-4-yl]ethanamine
CID 103412841
(1S)-1-(1-ethylpyrazol-4-yl)-N-[(2-ethyltriazol-4-yl)methyl]ethanamine
CID 164632644
1-[1-[2-[2-(2-butoxyethoxy)ethoxy]ethyl]pyrazol-4-yl]ethanol
CID 104566990
3-butoxy-N-[1-(4-methylsulfonylphenyl)ethyl]propan-1-amine
CID 115704386
N-[1-[1-(3-methylbutyl)pyrazol-4-yl]ethyl]propan-1-amine
CID 62731248
N-ethyl-1-(1-ethylpyrazol-4-yl)pentan-1-amine
CID 79405457
N-[1-(1-ethylpyrazol-4-yl)ethyl]-2-methyl-2-methylsulfanylpropan-1-amine
CID 115725978

Frequently Asked Questions

What is the IUPAC name of 3-butoxy-N-[1-(1-ethylpyrazol-4-yl)ethyl]propan-1-amine?
The IUPAC name of 3-butoxy-N-[1-(1-ethylpyrazol-4-yl)ethyl]propan-1-amine (CID 115704376) is 3-butoxy-N-[1-(1-ethylpyrazol-4-yl)ethyl]propan-1-amine.
What is the SMILES notation for 3-butoxy-N-[1-(1-ethylpyrazol-4-yl)ethyl]propan-1-amine?
The canonical SMILES for 3-butoxy-N-[1-(1-ethylpyrazol-4-yl)ethyl]propan-1-amine is CCCCOCCCNC(C)c1cnn(CC)c1.
What is the InChIKey of 3-butoxy-N-[1-(1-ethylpyrazol-4-yl)ethyl]propan-1-amine?
The InChIKey is LMSVFTKQELSUNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O/c1-4-6-9-18-10-7-8-15-13(3)14-11-16-17(5-2)12-14/h11-13,15H,4-10H2,1-3H3.
What are the key properties of 3-butoxy-N-[1-(1-ethylpyrazol-4-yl)ethyl]propan-1-amine?
3-butoxy-N-[1-(1-ethylpyrazol-4-yl)ethyl]propan-1-amine has a molecular weight of 253.39 g/mol, XLogP of 2.76, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butoxy-N-[1-(1-ethylpyrazol-4-yl)ethyl]propan-1-amine is sourced from PubChem (CID 115704376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).