N-[(2E)-3,7-dimethylocta-2,6-dienyl]-2,5-dimethylpyrazol-3-amine

C15H25N3 — CID 71577603

IUPACN-[(2E)-3,7-dimethylocta-2,6-dienyl]-2,5-dimethylpyrazol-3-amine
SMILESCC(C)=CCC/C(C)=C/CNc1cc(C)nn1C
InChIInChI=1S/C15H25N3/c1-12(2)7-6-8-13(3)9-10-16-15-11-14(4)17-18(15)5/h7,9,11,16H,6,8,10H2,1-5H3/b13-9+
InChIKeyXOUZYQBEFJOGJX-UKTHLTGXSA-N
MW247.39 g/mol
LogP3.83
Rot. Bonds6

About N-[(2E)-3,7-dimethylocta-2,6-dienyl]-2,5-dimethylpyrazol-3-amine

N-[(2E)-3,7-dimethylocta-2,6-dienyl]-2,5-dimethylpyrazol-3-amine (PubChem CID 71577603) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is N-[(2E)-3,7-dimethylocta-2,6-dienyl]-2,5-dimethylpyrazol-3-amine.

Molecular Properties

Compound NameN-[(2E)-3,7-dimethylocta-2,6-dienyl]-2,5-dimethylpyrazol-3-amine
PubChem CID71577603
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC NameN-[(2E)-3,7-dimethylocta-2,6-dienyl]-2,5-dimethylpyrazol-3-amine
SMILESCC(C)=CCC/C(C)=C/CNc1cc(C)nn1C
InChIInChI=1S/C15H25N3/c1-12(2)7-6-8-13(3)9-10-16-15-11-14(4)17-18(15)5/h7,9,11,16H,6,8,10H2,1-5H3/b13-9+
InChIKeyXOUZYQBEFJOGJX-UKTHLTGXSA-N
XLogP3.83
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.39
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(2E)-3,7-dimethylocta-2,6-dienyl]-2,5-dimethylpyrazol-3-amine?
The IUPAC name of N-[(2E)-3,7-dimethylocta-2,6-dienyl]-2,5-dimethylpyrazol-3-amine (CID 71577603) is N-[(2E)-3,7-dimethylocta-2,6-dienyl]-2,5-dimethylpyrazol-3-amine.
What is the SMILES notation for N-[(2E)-3,7-dimethylocta-2,6-dienyl]-2,5-dimethylpyrazol-3-amine?
The canonical SMILES for N-[(2E)-3,7-dimethylocta-2,6-dienyl]-2,5-dimethylpyrazol-3-amine is CC(C)=CCC/C(C)=C/CNc1cc(C)nn1C.
What is the InChIKey of N-[(2E)-3,7-dimethylocta-2,6-dienyl]-2,5-dimethylpyrazol-3-amine?
The InChIKey is XOUZYQBEFJOGJX-UKTHLTGXSA-N. The full InChI is InChI=1S/C15H25N3/c1-12(2)7-6-8-13(3)9-10-16-15-11-14(4)17-18(15)5/h7,9,11,16H,6,8,10H2,1-5H3/b13-9+.
What are the key properties of N-[(2E)-3,7-dimethylocta-2,6-dienyl]-2,5-dimethylpyrazol-3-amine?
N-[(2E)-3,7-dimethylocta-2,6-dienyl]-2,5-dimethylpyrazol-3-amine has a molecular weight of 247.39 g/mol, XLogP of 3.83, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2E)-3,7-dimethylocta-2,6-dienyl]-2,5-dimethylpyrazol-3-amine is sourced from PubChem (CID 71577603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).