2,10-diazabicyclo[10.4.0]hexadeca-1(16),12,14-triene

C14H22N2 — CID 14892737

IUPAC2,10-diazabicyclo[10.4.0]hexadeca-1(16),12,14-triene
SMILESc1ccc2c(c1)CNCCCCCCCN2
InChIInChI=1S/C14H22N2/c1-2-6-10-15-12-13-8-4-5-9-14(13)16-11-7-3-1/h4-5,8-9,15-16H,1-3,6-7,10-12H2
InChIKeyICOLXVABWGTAHQ-UHFFFAOYSA-N
MW218.34 g/mol
LogP3.15
Rot. Bonds

About 2,10-diazabicyclo[10.4.0]hexadeca-1(16),12,14-triene

2,10-diazabicyclo[10.4.0]hexadeca-1(16),12,14-triene (PubChem CID 14892737) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is 2,10-diazabicyclo[10.4.0]hexadeca-1(16),12,14-triene.

Molecular Properties

Compound Name2,10-diazabicyclo[10.4.0]hexadeca-1(16),12,14-triene
PubChem CID14892737
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC Name2,10-diazabicyclo[10.4.0]hexadeca-1(16),12,14-triene
SMILESc1ccc2c(c1)CNCCCCCCCN2
InChIInChI=1S/C14H22N2/c1-2-6-10-15-12-13-8-4-5-9-14(13)16-11-7-3-1/h4-5,8-9,15-16H,1-3,6-7,10-12H2
InChIKeyICOLXVABWGTAHQ-UHFFFAOYSA-N
XLogP3.15
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,10-diazabicyclo[10.4.0]hexadeca-1(16),12,14-triene?
The IUPAC name of 2,10-diazabicyclo[10.4.0]hexadeca-1(16),12,14-triene (CID 14892737) is 2,10-diazabicyclo[10.4.0]hexadeca-1(16),12,14-triene.
What is the SMILES notation for 2,10-diazabicyclo[10.4.0]hexadeca-1(16),12,14-triene?
The canonical SMILES for 2,10-diazabicyclo[10.4.0]hexadeca-1(16),12,14-triene is c1ccc2c(c1)CNCCCCCCCN2.
What is the InChIKey of 2,10-diazabicyclo[10.4.0]hexadeca-1(16),12,14-triene?
The InChIKey is ICOLXVABWGTAHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2/c1-2-6-10-15-12-13-8-4-5-9-14(13)16-11-7-3-1/h4-5,8-9,15-16H,1-3,6-7,10-12H2.
What are the key properties of 2,10-diazabicyclo[10.4.0]hexadeca-1(16),12,14-triene?
2,10-diazabicyclo[10.4.0]hexadeca-1(16),12,14-triene has a molecular weight of 218.34 g/mol, XLogP of 3.15, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,10-diazabicyclo[10.4.0]hexadeca-1(16),12,14-triene is sourced from PubChem (CID 14892737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).