4,9-diazatetracyclo[10.4.0.02,6.07,11]hexadeca-1,13,15-triene

C14H18N2 — CID 171919125

IUPAC4,9-diazatetracyclo[10.4.0.02,6.07,11]hexadeca-1,13,15-triene
SMILESC1=CC2=C3CNCC3C3CNCC3C2C=C1
InChIInChI=1S/C14H18N2/c1-2-4-10-9(3-1)11-5-15-7-13(11)14-8-16-6-12(10)14/h1-4,9,11,13-16H,5-8H2
InChIKeyMQNWUKLBEHSFCJ-UHFFFAOYSA-N
MW214.31 g/mol
LogP1.09
Rot. Bonds

About 4,9-diazatetracyclo[10.4.0.02,6.07,11]hexadeca-1,13,15-triene

4,9-diazatetracyclo[10.4.0.02,6.07,11]hexadeca-1,13,15-triene (PubChem CID 171919125) has the molecular formula C14H18N2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 4,9-diazatetracyclo[10.4.0.02,6.07,11]hexadeca-1,13,15-triene.

Molecular Properties

Compound Name4,9-diazatetracyclo[10.4.0.02,6.07,11]hexadeca-1,13,15-triene
PubChem CID171919125
Molecular FormulaC14H18N2
Molecular Weight214.31 g/mol
Exact Mass214.15
IUPAC Name4,9-diazatetracyclo[10.4.0.02,6.07,11]hexadeca-1,13,15-triene
SMILESC1=CC2=C3CNCC3C3CNCC3C2C=C1
InChIInChI=1S/C14H18N2/c1-2-4-10-9(3-1)11-5-15-7-13(11)14-8-16-6-12(10)14/h1-4,9,11,13-16H,5-8H2
InChIKeyMQNWUKLBEHSFCJ-UHFFFAOYSA-N
XLogP1.09
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,9-diazatetracyclo[10.4.0.02,6.07,11]hexadeca-1,13,15-triene?
The IUPAC name of 4,9-diazatetracyclo[10.4.0.02,6.07,11]hexadeca-1,13,15-triene (CID 171919125) is 4,9-diazatetracyclo[10.4.0.02,6.07,11]hexadeca-1,13,15-triene.
What is the SMILES notation for 4,9-diazatetracyclo[10.4.0.02,6.07,11]hexadeca-1,13,15-triene?
The canonical SMILES for 4,9-diazatetracyclo[10.4.0.02,6.07,11]hexadeca-1,13,15-triene is C1=CC2=C3CNCC3C3CNCC3C2C=C1.
What is the InChIKey of 4,9-diazatetracyclo[10.4.0.02,6.07,11]hexadeca-1,13,15-triene?
The InChIKey is MQNWUKLBEHSFCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2/c1-2-4-10-9(3-1)11-5-15-7-13(11)14-8-16-6-12(10)14/h1-4,9,11,13-16H,5-8H2.
What are the key properties of 4,9-diazatetracyclo[10.4.0.02,6.07,11]hexadeca-1,13,15-triene?
4,9-diazatetracyclo[10.4.0.02,6.07,11]hexadeca-1,13,15-triene has a molecular weight of 214.31 g/mol, XLogP of 1.09, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,9-diazatetracyclo[10.4.0.02,6.07,11]hexadeca-1,13,15-triene is sourced from PubChem (CID 171919125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).