tetracen-5-amine

C18H13N — CID 88593901

IUPACtetracen-5-amine
SMILESNc1c2ccccc2cc2cc3ccccc3cc12
InChIInChI=1S/C18H13N/c19-18-16-8-4-3-7-14(16)10-15-9-12-5-1-2-6-13(12)11-17(15)18/h1-11H,19H2
InChIKeyQSYLRPIYKMLAEI-UHFFFAOYSA-N
MW243.31 g/mol
LogP4.73
Rot. Bonds

About tetracen-5-amine

tetracen-5-amine (PubChem CID 88593901) has the molecular formula C18H13N and a molecular weight of 243.31 g/mol. Its IUPAC name is tetracen-5-amine.

Molecular Properties

Compound Nametetracen-5-amine
PubChem CID88593901
Molecular FormulaC18H13N
Molecular Weight243.31 g/mol
Exact Mass243.10
IUPAC Nametetracen-5-amine
SMILESNc1c2ccccc2cc2cc3ccccc3cc12
InChIInChI=1S/C18H13N/c19-18-16-8-4-3-7-14(16)10-15-9-12-5-1-2-6-13(12)11-17(15)18/h1-11H,19H2
InChIKeyQSYLRPIYKMLAEI-UHFFFAOYSA-N
XLogP4.73
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tetracen-5-amine?
The IUPAC name of tetracen-5-amine (CID 88593901) is tetracen-5-amine.
What is the SMILES notation for tetracen-5-amine?
The canonical SMILES for tetracen-5-amine is Nc1c2ccccc2cc2cc3ccccc3cc12.
What is the InChIKey of tetracen-5-amine?
The InChIKey is QSYLRPIYKMLAEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N/c19-18-16-8-4-3-7-14(16)10-15-9-12-5-1-2-6-13(12)11-17(15)18/h1-11H,19H2.
What are the key properties of tetracen-5-amine?
tetracen-5-amine has a molecular weight of 243.31 g/mol, XLogP of 4.73, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tetracen-5-amine is sourced from PubChem (CID 88593901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).