N-ethyl-1-(1-ethylpyrazol-4-yl)octan-1-amine

C15H29N3 — CID 115816351

IUPACN-ethyl-1-(1-ethylpyrazol-4-yl)octan-1-amine
SMILESCCCCCCCC(NCC)c1cnn(CC)c1
InChIInChI=1S/C15H29N3/c1-4-7-8-9-10-11-15(16-5-2)14-12-17-18(6-3)13-14/h12-13,15-16H,4-11H2,1-3H3
InChIKeyJLUMWTFFUIQIDP-UHFFFAOYSA-N
MW251.42 g/mol
LogP3.91
Rot. Bonds10

About N-ethyl-1-(1-ethylpyrazol-4-yl)octan-1-amine

N-ethyl-1-(1-ethylpyrazol-4-yl)octan-1-amine (PubChem CID 115816351) has the molecular formula C15H29N3 and a molecular weight of 251.42 g/mol. Its IUPAC name is N-ethyl-1-(1-ethylpyrazol-4-yl)octan-1-amine.

Molecular Properties

Compound NameN-ethyl-1-(1-ethylpyrazol-4-yl)octan-1-amine
PubChem CID115816351
Molecular FormulaC15H29N3
Molecular Weight251.42 g/mol
Exact Mass251.24
IUPAC NameN-ethyl-1-(1-ethylpyrazol-4-yl)octan-1-amine
SMILESCCCCCCCC(NCC)c1cnn(CC)c1
InChIInChI=1S/C15H29N3/c1-4-7-8-9-10-11-15(16-5-2)14-12-17-18(6-3)13-14/h12-13,15-16H,4-11H2,1-3H3
InChIKeyJLUMWTFFUIQIDP-UHFFFAOYSA-N
XLogP3.91
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.42
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-ethyl-1-(1-ethylpyrazol-4-yl)octan-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

N-ethyl-1-(1-ethylpyrazol-4-yl)pentan-1-amine
CID 79405457
1-(1-ethylpyrazol-4-yl)-N-propyloctan-1-amine
CID 115815894
1-(1-ethylpyrazol-4-yl)-N-methyldodecan-1-amine
CID 115816091
1-(1-ethylpyrazol-4-yl)-N-methylhexan-1-amine
CID 115816258
1-(1-ethylpyrazol-4-yl)dodecan-1-ol
CID 115778864
N-ethyl-1-(1-ethylpyrazol-4-yl)-2-propan-2-ylsulfanylethanamine
CID 65132015
1-(1-ethylpyrazol-4-yl)decan-1-amine
CID 115816084
N-ethyl-1-(1-ethylpyrazol-4-yl)-3-pyridin-4-ylpropan-1-amine
CID 105109175
3-(ethylamino)-3-(1-ethylpyrazol-4-yl)propanamide
CID 103570864
1-(1-methylpyrazol-4-yl)hexylhydrazine
CID 105228484
1-(1-ethylpyrazol-4-yl)-4,4,4-trifluoro-N-propylbutan-1-amine
CID 79964065
N-ethyl-1-(1-ethylpyrazol-4-yl)-2-(4-methylphenyl)ethanamine
CID 62330272

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(1-ethylpyrazol-4-yl)octan-1-amine?
The IUPAC name of N-ethyl-1-(1-ethylpyrazol-4-yl)octan-1-amine (CID 115816351) is N-ethyl-1-(1-ethylpyrazol-4-yl)octan-1-amine.
What is the SMILES notation for N-ethyl-1-(1-ethylpyrazol-4-yl)octan-1-amine?
The canonical SMILES for N-ethyl-1-(1-ethylpyrazol-4-yl)octan-1-amine is CCCCCCCC(NCC)c1cnn(CC)c1.
What is the InChIKey of N-ethyl-1-(1-ethylpyrazol-4-yl)octan-1-amine?
The InChIKey is JLUMWTFFUIQIDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3/c1-4-7-8-9-10-11-15(16-5-2)14-12-17-18(6-3)13-14/h12-13,15-16H,4-11H2,1-3H3.
What are the key properties of N-ethyl-1-(1-ethylpyrazol-4-yl)octan-1-amine?
N-ethyl-1-(1-ethylpyrazol-4-yl)octan-1-amine has a molecular weight of 251.42 g/mol, XLogP of 3.91, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(1-ethylpyrazol-4-yl)octan-1-amine is sourced from PubChem (CID 115816351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).