N,N-diethylethanamine;perylene

C26H27N — CID 71329350

IUPACN,N-diethylethanamine;perylene
SMILESCCN(CC)CC.c1cc2cccc3c4cccc5cccc(c(c1)c23)c54
InChIInChI=1S/C20H12.C6H15N/c1-5-13-6-2-11-17-18-12-4-8-14-7-3-10-16(20(14)18)15(9-1)19(13)17;1-4-7(5-2)6-3/h1-12H;4-6H2,1-3H3
InChIKeyWQSVBIVXJKFBIF-UHFFFAOYSA-N
MW353.51 g/mol
LogP7.09
Rot. Bonds3

About N,N-diethylethanamine;perylene

N,N-diethylethanamine;perylene (PubChem CID 71329350) has the molecular formula C26H27N and a molecular weight of 353.51 g/mol. Its IUPAC name is N,N-diethylethanamine;perylene.

Molecular Properties

Compound NameN,N-diethylethanamine;perylene
PubChem CID71329350
Molecular FormulaC26H27N
Molecular Weight353.51 g/mol
Exact Mass353.21
IUPAC NameN,N-diethylethanamine;perylene
SMILESCCN(CC)CC.c1cc2cccc3c4cccc5cccc(c(c1)c23)c54
InChIInChI=1S/C20H12.C6H15N/c1-5-13-6-2-11-17-18-12-4-8-14-7-3-10-16(20(14)18)15(9-1)19(13)17;1-4-7(5-2)6-3/h1-12H;4-6H2,1-3H3
InChIKeyWQSVBIVXJKFBIF-UHFFFAOYSA-N
XLogP7.09
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.51
LogP ≤ 57.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N-diethylethanamine;perylene?
The IUPAC name of N,N-diethylethanamine;perylene (CID 71329350) is N,N-diethylethanamine;perylene.
What is the SMILES notation for N,N-diethylethanamine;perylene?
The canonical SMILES for N,N-diethylethanamine;perylene is CCN(CC)CC.c1cc2cccc3c4cccc5cccc(c(c1)c23)c54.
What is the InChIKey of N,N-diethylethanamine;perylene?
The InChIKey is WQSVBIVXJKFBIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12.C6H15N/c1-5-13-6-2-11-17-18-12-4-8-14-7-3-10-16(20(14)18)15(9-1)19(13)17;1-4-7(5-2)6-3/h1-12H;4-6H2,1-3H3.
What are the key properties of N,N-diethylethanamine;perylene?
N,N-diethylethanamine;perylene has a molecular weight of 353.51 g/mol, XLogP of 7.09, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethylethanamine;perylene is sourced from PubChem (CID 71329350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).