1,10-diazacyclooctadeca-1,3,5,7,9,11,13,15,17-nonaene

C16H16N2 — CID 91177215

IUPAC1,10-diazacyclooctadeca-1,3,5,7,9,11,13,15,17-nonaene
SMILESc1ccccnccccccccnccc1
InChIInChI=1S/C16H16N2/c1-2-6-10-14-18-16-12-8-4-3-7-11-15-17-13-9-5-1/h1-16H/b2-1+,4-3+,5-1+,6-2+,7-3+,8-4+,9-5-,10-6+,11-7+,12-8-,13-9+,14-10-,15-11-,16-12+,17-13+,17-15-,18-14-,18-16+
InChIKeyWGJOYNOTBBWJCX-XDDCRQBXSA-N
MW236.32 g/mol
LogP3.85
Rot. Bonds

About 1,10-diazacyclooctadeca-1,3,5,7,9,11,13,15,17-nonaene

1,10-diazacyclooctadeca-1,3,5,7,9,11,13,15,17-nonaene (PubChem CID 91177215) has the molecular formula C16H16N2 and a molecular weight of 236.32 g/mol. Its IUPAC name is 1,10-diazacyclooctadeca-1,3,5,7,9,11,13,15,17-nonaene.

Molecular Properties

Compound Name1,10-diazacyclooctadeca-1,3,5,7,9,11,13,15,17-nonaene
PubChem CID91177215
Molecular FormulaC16H16N2
Molecular Weight236.32 g/mol
Exact Mass236.13
IUPAC Name1,10-diazacyclooctadeca-1,3,5,7,9,11,13,15,17-nonaene
SMILESc1ccccnccccccccnccc1
InChIInChI=1S/C16H16N2/c1-2-6-10-14-18-16-12-8-4-3-7-11-15-17-13-9-5-1/h1-16H/b2-1+,4-3+,5-1+,6-2+,7-3+,8-4+,9-5-,10-6+,11-7+,12-8-,13-9+,14-10-,15-11-,16-12+,17-13+,17-15-,18-14-,18-16+
InChIKeyWGJOYNOTBBWJCX-XDDCRQBXSA-N
XLogP3.85
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,10-diazacyclooctadeca-1,3,5,7,9,11,13,15,17-nonaene?
The IUPAC name of 1,10-diazacyclooctadeca-1,3,5,7,9,11,13,15,17-nonaene (CID 91177215) is 1,10-diazacyclooctadeca-1,3,5,7,9,11,13,15,17-nonaene.
What is the SMILES notation for 1,10-diazacyclooctadeca-1,3,5,7,9,11,13,15,17-nonaene?
The canonical SMILES for 1,10-diazacyclooctadeca-1,3,5,7,9,11,13,15,17-nonaene is c1ccccnccccccccnccc1.
What is the InChIKey of 1,10-diazacyclooctadeca-1,3,5,7,9,11,13,15,17-nonaene?
The InChIKey is WGJOYNOTBBWJCX-XDDCRQBXSA-N. The full InChI is InChI=1S/C16H16N2/c1-2-6-10-14-18-16-12-8-4-3-7-11-15-17-13-9-5-1/h1-16H/b2-1+,4-3+,5-1+,6-2+,7-3+,8-4+,9-5-,10-6+,11-7+,12-8-,13-9+,14-10-,15-11-,16-12+,17-13+,17-15-,18-14-,18-16+.
What are the key properties of 1,10-diazacyclooctadeca-1,3,5,7,9,11,13,15,17-nonaene?
1,10-diazacyclooctadeca-1,3,5,7,9,11,13,15,17-nonaene has a molecular weight of 236.32 g/mol, XLogP of 3.85, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,10-diazacyclooctadeca-1,3,5,7,9,11,13,15,17-nonaene is sourced from PubChem (CID 91177215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).