2-(pentylamino)-4-pentyliminonaphthalen-1-one

C20H28N2O — CID 134936913

IUPAC2-(pentylamino)-4-pentyliminonaphthalen-1-one
SMILESCCCCC/N=C1\C=C(NCCCCC)C(=O)c2ccccc21
InChIInChI=1S/C20H28N2O/c1-3-5-9-13-21-18-15-19(22-14-10-6-4-2)20(23)17-12-8-7-11-16(17)18/h7-8,11-12,15,22H,3-6,9-10,13-14H2,1-2H3/b21-18+
InChIKeyJUTOKHYRKZFPAS-DYTRJAOYSA-N
MW312.46 g/mol
LogP4.53
Rot. Bonds9

About 2-(pentylamino)-4-pentyliminonaphthalen-1-one

2-(pentylamino)-4-pentyliminonaphthalen-1-one (PubChem CID 134936913) has the molecular formula C20H28N2O and a molecular weight of 312.46 g/mol. Its IUPAC name is 2-(pentylamino)-4-pentyliminonaphthalen-1-one.

Molecular Properties

Compound Name2-(pentylamino)-4-pentyliminonaphthalen-1-one
PubChem CID134936913
Molecular FormulaC20H28N2O
Molecular Weight312.46 g/mol
Exact Mass312.22
IUPAC Name2-(pentylamino)-4-pentyliminonaphthalen-1-one
SMILESCCCCC/N=C1\C=C(NCCCCC)C(=O)c2ccccc21
InChIInChI=1S/C20H28N2O/c1-3-5-9-13-21-18-15-19(22-14-10-6-4-2)20(23)17-12-8-7-11-16(17)18/h7-8,11-12,15,22H,3-6,9-10,13-14H2,1-2H3/b21-18+
InChIKeyJUTOKHYRKZFPAS-DYTRJAOYSA-N
XLogP4.53
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.46
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(pentylamino)-4-pentyliminonaphthalen-1-one?
The IUPAC name of 2-(pentylamino)-4-pentyliminonaphthalen-1-one (CID 134936913) is 2-(pentylamino)-4-pentyliminonaphthalen-1-one.
What is the SMILES notation for 2-(pentylamino)-4-pentyliminonaphthalen-1-one?
The canonical SMILES for 2-(pentylamino)-4-pentyliminonaphthalen-1-one is CCCCC/N=C1\C=C(NCCCCC)C(=O)c2ccccc21.
What is the InChIKey of 2-(pentylamino)-4-pentyliminonaphthalen-1-one?
The InChIKey is JUTOKHYRKZFPAS-DYTRJAOYSA-N. The full InChI is InChI=1S/C20H28N2O/c1-3-5-9-13-21-18-15-19(22-14-10-6-4-2)20(23)17-12-8-7-11-16(17)18/h7-8,11-12,15,22H,3-6,9-10,13-14H2,1-2H3/b21-18+.
What are the key properties of 2-(pentylamino)-4-pentyliminonaphthalen-1-one?
2-(pentylamino)-4-pentyliminonaphthalen-1-one has a molecular weight of 312.46 g/mol, XLogP of 4.53, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pentylamino)-4-pentyliminonaphthalen-1-one is sourced from PubChem (CID 134936913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).