15-azatetracyclo[7.5.2.01,10.02,7]hexadeca-5,7,9-triene

C15H19N — CID 57281653

IUPAC15-azatetracyclo[7.5.2.01,10.02,7]hexadeca-5,7,9-triene
SMILESC1=CC2=CC3=C4CCCCC4(NC3)C2CC1
InChIInChI=1S/C15H19N/c1-2-6-13-11(5-1)9-12-10-16-15(13)8-4-3-7-14(12)15/h1,5,9,13,16H,2-4,6-8,10H2
InChIKeyQQYOPNDZMVYLAB-UHFFFAOYSA-N
MW213.32 g/mol
LogP3.11
Rot. Bonds

About 15-azatetracyclo[7.5.2.01,10.02,7]hexadeca-5,7,9-triene

15-azatetracyclo[7.5.2.01,10.02,7]hexadeca-5,7,9-triene (PubChem CID 57281653) has the molecular formula C15H19N and a molecular weight of 213.32 g/mol. Its IUPAC name is 15-azatetracyclo[7.5.2.01,10.02,7]hexadeca-5,7,9-triene.

Molecular Properties

Compound Name15-azatetracyclo[7.5.2.01,10.02,7]hexadeca-5,7,9-triene
PubChem CID57281653
Molecular FormulaC15H19N
Molecular Weight213.32 g/mol
Exact Mass213.15
IUPAC Name15-azatetracyclo[7.5.2.01,10.02,7]hexadeca-5,7,9-triene
SMILESC1=CC2=CC3=C4CCCCC4(NC3)C2CC1
InChIInChI=1S/C15H19N/c1-2-6-13-11(5-1)9-12-10-16-15(13)8-4-3-7-14(12)15/h1,5,9,13,16H,2-4,6-8,10H2
InChIKeyQQYOPNDZMVYLAB-UHFFFAOYSA-N
XLogP3.11
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 15-azatetracyclo[7.5.2.01,10.02,7]hexadeca-5,7,9-triene?
The IUPAC name of 15-azatetracyclo[7.5.2.01,10.02,7]hexadeca-5,7,9-triene (CID 57281653) is 15-azatetracyclo[7.5.2.01,10.02,7]hexadeca-5,7,9-triene.
What is the SMILES notation for 15-azatetracyclo[7.5.2.01,10.02,7]hexadeca-5,7,9-triene?
The canonical SMILES for 15-azatetracyclo[7.5.2.01,10.02,7]hexadeca-5,7,9-triene is C1=CC2=CC3=C4CCCCC4(NC3)C2CC1.
What is the InChIKey of 15-azatetracyclo[7.5.2.01,10.02,7]hexadeca-5,7,9-triene?
The InChIKey is QQYOPNDZMVYLAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N/c1-2-6-13-11(5-1)9-12-10-16-15(13)8-4-3-7-14(12)15/h1,5,9,13,16H,2-4,6-8,10H2.
What are the key properties of 15-azatetracyclo[7.5.2.01,10.02,7]hexadeca-5,7,9-triene?
15-azatetracyclo[7.5.2.01,10.02,7]hexadeca-5,7,9-triene has a molecular weight of 213.32 g/mol, XLogP of 3.11, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 15-azatetracyclo[7.5.2.01,10.02,7]hexadeca-5,7,9-triene is sourced from PubChem (CID 57281653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).