8-penta-2,4-dienylnaphthalen-1-amine

C15H15N — CID 58219729

IUPAC8-penta-2,4-dienylnaphthalen-1-amine
SMILESC=CC=CCc1cccc2cccc(N)c12
InChIInChI=1S/C15H15N/c1-2-3-4-7-12-8-5-9-13-10-6-11-14(16)15(12)13/h2-6,8-11H,1,7,16H2
InChIKeyVIXQQMJOKQKBLU-UHFFFAOYSA-N
MW209.29 g/mol
LogP3.71
Rot. Bonds3

About 8-penta-2,4-dienylnaphthalen-1-amine

8-penta-2,4-dienylnaphthalen-1-amine (PubChem CID 58219729) has the molecular formula C15H15N and a molecular weight of 209.29 g/mol. Its IUPAC name is 8-penta-2,4-dienylnaphthalen-1-amine.

Molecular Properties

Compound Name8-penta-2,4-dienylnaphthalen-1-amine
PubChem CID58219729
Molecular FormulaC15H15N
Molecular Weight209.29 g/mol
Exact Mass209.12
IUPAC Name8-penta-2,4-dienylnaphthalen-1-amine
SMILESC=CC=CCc1cccc2cccc(N)c12
InChIInChI=1S/C15H15N/c1-2-3-4-7-12-8-5-9-13-10-6-11-14(16)15(12)13/h2-6,8-11H,1,7,16H2
InChIKeyVIXQQMJOKQKBLU-UHFFFAOYSA-N
XLogP3.71
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-penta-2,4-dienylnaphthalen-1-amine?
The IUPAC name of 8-penta-2,4-dienylnaphthalen-1-amine (CID 58219729) is 8-penta-2,4-dienylnaphthalen-1-amine.
What is the SMILES notation for 8-penta-2,4-dienylnaphthalen-1-amine?
The canonical SMILES for 8-penta-2,4-dienylnaphthalen-1-amine is C=CC=CCc1cccc2cccc(N)c12.
What is the InChIKey of 8-penta-2,4-dienylnaphthalen-1-amine?
The InChIKey is VIXQQMJOKQKBLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N/c1-2-3-4-7-12-8-5-9-13-10-6-11-14(16)15(12)13/h2-6,8-11H,1,7,16H2.
What are the key properties of 8-penta-2,4-dienylnaphthalen-1-amine?
8-penta-2,4-dienylnaphthalen-1-amine has a molecular weight of 209.29 g/mol, XLogP of 3.71, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-penta-2,4-dienylnaphthalen-1-amine is sourced from PubChem (CID 58219729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).