N-[(1-hept-6-enyl-5-methylpyrazol-4-yl)methyl]ethanamine

C14H25N3 — CID 107010372

IUPACN-[(1-hept-6-enyl-5-methylpyrazol-4-yl)methyl]ethanamine
SMILESC=CCCCCCn1ncc(CNCC)c1C
InChIInChI=1S/C14H25N3/c1-4-6-7-8-9-10-17-13(3)14(12-16-17)11-15-5-2/h4,12,15H,1,5-11H2,2-3H3
InChIKeyBATHDYKAYFTKLP-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.05
Rot. Bonds9

About N-[(1-hept-6-enyl-5-methylpyrazol-4-yl)methyl]ethanamine

N-[(1-hept-6-enyl-5-methylpyrazol-4-yl)methyl]ethanamine (PubChem CID 107010372) has the molecular formula C14H25N3 and a molecular weight of 235.37 g/mol. Its IUPAC name is N-[(1-hept-6-enyl-5-methylpyrazol-4-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(1-hept-6-enyl-5-methylpyrazol-4-yl)methyl]ethanamine
PubChem CID107010372
Molecular FormulaC14H25N3
Molecular Weight235.37 g/mol
Exact Mass235.20
IUPAC NameN-[(1-hept-6-enyl-5-methylpyrazol-4-yl)methyl]ethanamine
SMILESC=CCCCCCn1ncc(CNCC)c1C
InChIInChI=1S/C14H25N3/c1-4-6-7-8-9-10-17-13(3)14(12-16-17)11-15-5-2/h4,12,15H,1,5-11H2,2-3H3
InChIKeyBATHDYKAYFTKLP-UHFFFAOYSA-N
XLogP3.05
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[(1-hept-6-enyl-5-methylpyrazol-4-yl)methyl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(1-hept-6-enyl-5-methylpyrazol-4-yl)methyl]ethanamine?
The IUPAC name of N-[(1-hept-6-enyl-5-methylpyrazol-4-yl)methyl]ethanamine (CID 107010372) is N-[(1-hept-6-enyl-5-methylpyrazol-4-yl)methyl]ethanamine.
What is the SMILES notation for N-[(1-hept-6-enyl-5-methylpyrazol-4-yl)methyl]ethanamine?
The canonical SMILES for N-[(1-hept-6-enyl-5-methylpyrazol-4-yl)methyl]ethanamine is C=CCCCCCn1ncc(CNCC)c1C.
What is the InChIKey of N-[(1-hept-6-enyl-5-methylpyrazol-4-yl)methyl]ethanamine?
The InChIKey is BATHDYKAYFTKLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3/c1-4-6-7-8-9-10-17-13(3)14(12-16-17)11-15-5-2/h4,12,15H,1,5-11H2,2-3H3.
What are the key properties of N-[(1-hept-6-enyl-5-methylpyrazol-4-yl)methyl]ethanamine?
N-[(1-hept-6-enyl-5-methylpyrazol-4-yl)methyl]ethanamine has a molecular weight of 235.37 g/mol, XLogP of 3.05, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-hept-6-enyl-5-methylpyrazol-4-yl)methyl]ethanamine is sourced from PubChem (CID 107010372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).