3-cyclonona-1,3-dien-1-yl-5,6,7,8-tetrahydro-4H-diazonine

C16H24N2 — CID 67511116

IUPAC3-cyclonona-1,3-dien-1-yl-5,6,7,8-tetrahydro-4H-diazonine
SMILESC1=CCCCCCC(C2=NN=CCCCCC2)=C1
InChIInChI=1S/C16H24N2/c1-2-4-8-12-15(11-7-3-1)16-13-9-5-6-10-14-17-18-16/h3,7,11,14H,1-2,4-6,8-10,12-13H2
InChIKeyTZFXGSNTGWUWOB-UHFFFAOYSA-N
MW244.38 g/mol
LogP4.82
Rot. Bonds1

About 3-cyclonona-1,3-dien-1-yl-5,6,7,8-tetrahydro-4H-diazonine

3-cyclonona-1,3-dien-1-yl-5,6,7,8-tetrahydro-4H-diazonine (PubChem CID 67511116) has the molecular formula C16H24N2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 3-cyclonona-1,3-dien-1-yl-5,6,7,8-tetrahydro-4H-diazonine.

Molecular Properties

Compound Name3-cyclonona-1,3-dien-1-yl-5,6,7,8-tetrahydro-4H-diazonine
PubChem CID67511116
Molecular FormulaC16H24N2
Molecular Weight244.38 g/mol
Exact Mass244.19
IUPAC Name3-cyclonona-1,3-dien-1-yl-5,6,7,8-tetrahydro-4H-diazonine
SMILESC1=CCCCCCC(C2=NN=CCCCCC2)=C1
InChIInChI=1S/C16H24N2/c1-2-4-8-12-15(11-7-3-1)16-13-9-5-6-10-14-17-18-16/h3,7,11,14H,1-2,4-6,8-10,12-13H2
InChIKeyTZFXGSNTGWUWOB-UHFFFAOYSA-N
XLogP4.82
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-cyclonona-1,3-dien-1-yl-5,6,7,8-tetrahydro-4H-diazonine?
The IUPAC name of 3-cyclonona-1,3-dien-1-yl-5,6,7,8-tetrahydro-4H-diazonine (CID 67511116) is 3-cyclonona-1,3-dien-1-yl-5,6,7,8-tetrahydro-4H-diazonine.
What is the SMILES notation for 3-cyclonona-1,3-dien-1-yl-5,6,7,8-tetrahydro-4H-diazonine?
The canonical SMILES for 3-cyclonona-1,3-dien-1-yl-5,6,7,8-tetrahydro-4H-diazonine is C1=CCCCCCC(C2=NN=CCCCCC2)=C1.
What is the InChIKey of 3-cyclonona-1,3-dien-1-yl-5,6,7,8-tetrahydro-4H-diazonine?
The InChIKey is TZFXGSNTGWUWOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2/c1-2-4-8-12-15(11-7-3-1)16-13-9-5-6-10-14-17-18-16/h3,7,11,14H,1-2,4-6,8-10,12-13H2.
What are the key properties of 3-cyclonona-1,3-dien-1-yl-5,6,7,8-tetrahydro-4H-diazonine?
3-cyclonona-1,3-dien-1-yl-5,6,7,8-tetrahydro-4H-diazonine has a molecular weight of 244.38 g/mol, XLogP of 4.82, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclonona-1,3-dien-1-yl-5,6,7,8-tetrahydro-4H-diazonine is sourced from PubChem (CID 67511116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).