1,5-bis(7-aminonaphthalen-1-yl)pentan-3-one

C25H24N2O — CID 176830379

IUPAC1,5-bis(7-aminonaphthalen-1-yl)pentan-3-one
SMILESNc1ccc2cccc(CCC(=O)CCc3cccc4ccc(N)cc34)c2c1
InChIInChI=1S/C25H24N2O/c26-21-11-7-17-3-1-5-19(24(17)15-21)9-13-23(28)14-10-20-6-2-4-18-8-12-22(27)16-25(18)20/h1-8,11-12,15-16H,9-10,13-14,26-27H2
InChIKeyONPPHCNEEKYTKC-UHFFFAOYSA-N
MW368.48 g/mol
LogP5.29
Rot. Bonds6

About 1,5-bis(7-aminonaphthalen-1-yl)pentan-3-one

1,5-bis(7-aminonaphthalen-1-yl)pentan-3-one (PubChem CID 176830379) has the molecular formula C25H24N2O and a molecular weight of 368.48 g/mol. Its IUPAC name is 1,5-bis(7-aminonaphthalen-1-yl)pentan-3-one.

Molecular Properties

Compound Name1,5-bis(7-aminonaphthalen-1-yl)pentan-3-one
PubChem CID176830379
Molecular FormulaC25H24N2O
Molecular Weight368.48 g/mol
Exact Mass368.19
IUPAC Name1,5-bis(7-aminonaphthalen-1-yl)pentan-3-one
SMILESNc1ccc2cccc(CCC(=O)CCc3cccc4ccc(N)cc34)c2c1
InChIInChI=1S/C25H24N2O/c26-21-11-7-17-3-1-5-19(24(17)15-21)9-13-23(28)14-10-20-6-2-4-18-8-12-22(27)16-25(18)20/h1-8,11-12,15-16H,9-10,13-14,26-27H2
InChIKeyONPPHCNEEKYTKC-UHFFFAOYSA-N
XLogP5.29
TPSA69.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.48
LogP ≤ 55.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,5-bis(7-aminonaphthalen-1-yl)pentan-3-one?
The IUPAC name of 1,5-bis(7-aminonaphthalen-1-yl)pentan-3-one (CID 176830379) is 1,5-bis(7-aminonaphthalen-1-yl)pentan-3-one.
What is the SMILES notation for 1,5-bis(7-aminonaphthalen-1-yl)pentan-3-one?
The canonical SMILES for 1,5-bis(7-aminonaphthalen-1-yl)pentan-3-one is Nc1ccc2cccc(CCC(=O)CCc3cccc4ccc(N)cc34)c2c1.
What is the InChIKey of 1,5-bis(7-aminonaphthalen-1-yl)pentan-3-one?
The InChIKey is ONPPHCNEEKYTKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O/c26-21-11-7-17-3-1-5-19(24(17)15-21)9-13-23(28)14-10-20-6-2-4-18-8-12-22(27)16-25(18)20/h1-8,11-12,15-16H,9-10,13-14,26-27H2.
What are the key properties of 1,5-bis(7-aminonaphthalen-1-yl)pentan-3-one?
1,5-bis(7-aminonaphthalen-1-yl)pentan-3-one has a molecular weight of 368.48 g/mol, XLogP of 5.29, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-bis(7-aminonaphthalen-1-yl)pentan-3-one is sourced from PubChem (CID 176830379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).