tetracyclo[6.6.2.02,7.09,14]hexadeca-2(7),3,5,9,11,13,15-heptaen-4-amine

C16H13N — CID 165356495

IUPACtetracyclo[6.6.2.02,7.09,14]hexadeca-2(7),3,5,9,11,13,15-heptaen-4-amine
SMILESNc1ccc2c(c1)C1C=CC2c2ccccc21
InChIInChI=1S/C16H13N/c17-10-5-6-14-13-7-8-15(16(14)9-10)12-4-2-1-3-11(12)13/h1-9,13,15H,17H2
InChIKeyJKDBJLUWZPQJBX-UHFFFAOYSA-N
MW219.29 g/mol
LogP3.42
Rot. Bonds

About tetracyclo[6.6.2.02,7.09,14]hexadeca-2(7),3,5,9,11,13,15-heptaen-4-amine

tetracyclo[6.6.2.02,7.09,14]hexadeca-2(7),3,5,9,11,13,15-heptaen-4-amine (PubChem CID 165356495) has the molecular formula C16H13N and a molecular weight of 219.29 g/mol. Its IUPAC name is tetracyclo[6.6.2.02,7.09,14]hexadeca-2(7),3,5,9,11,13,15-heptaen-4-amine.

Molecular Properties

Compound Nametetracyclo[6.6.2.02,7.09,14]hexadeca-2(7),3,5,9,11,13,15-heptaen-4-amine
PubChem CID165356495
Molecular FormulaC16H13N
Molecular Weight219.29 g/mol
Exact Mass219.10
IUPAC Nametetracyclo[6.6.2.02,7.09,14]hexadeca-2(7),3,5,9,11,13,15-heptaen-4-amine
SMILESNc1ccc2c(c1)C1C=CC2c2ccccc21
InChIInChI=1S/C16H13N/c17-10-5-6-14-13-7-8-15(16(14)9-10)12-4-2-1-3-11(12)13/h1-9,13,15H,17H2
InChIKeyJKDBJLUWZPQJBX-UHFFFAOYSA-N
XLogP3.42
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tetracyclo[6.6.2.02,7.09,14]hexadeca-2(7),3,5,9,11,13,15-heptaen-4-amine?
The IUPAC name of tetracyclo[6.6.2.02,7.09,14]hexadeca-2(7),3,5,9,11,13,15-heptaen-4-amine (CID 165356495) is tetracyclo[6.6.2.02,7.09,14]hexadeca-2(7),3,5,9,11,13,15-heptaen-4-amine.
What is the SMILES notation for tetracyclo[6.6.2.02,7.09,14]hexadeca-2(7),3,5,9,11,13,15-heptaen-4-amine?
The canonical SMILES for tetracyclo[6.6.2.02,7.09,14]hexadeca-2(7),3,5,9,11,13,15-heptaen-4-amine is Nc1ccc2c(c1)C1C=CC2c2ccccc21.
What is the InChIKey of tetracyclo[6.6.2.02,7.09,14]hexadeca-2(7),3,5,9,11,13,15-heptaen-4-amine?
The InChIKey is JKDBJLUWZPQJBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N/c17-10-5-6-14-13-7-8-15(16(14)9-10)12-4-2-1-3-11(12)13/h1-9,13,15H,17H2.
What are the key properties of tetracyclo[6.6.2.02,7.09,14]hexadeca-2(7),3,5,9,11,13,15-heptaen-4-amine?
tetracyclo[6.6.2.02,7.09,14]hexadeca-2(7),3,5,9,11,13,15-heptaen-4-amine has a molecular weight of 219.29 g/mol, XLogP of 3.42, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for tetracyclo[6.6.2.02,7.09,14]hexadeca-2(7),3,5,9,11,13,15-heptaen-4-amine is sourced from PubChem (CID 165356495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).