2-cyclonona-1,3-dien-1-yl-4,5,6,7-tetrahydro-3H-azonine

C17H25N — CID 67020392

IUPAC2-cyclonona-1,3-dien-1-yl-4,5,6,7-tetrahydro-3H-azonine
SMILESC1=CCCCCCC(/C2=N/C=CCCCCC2)=C1
InChIInChI=1S/C17H25N/c1-2-5-9-13-16(12-8-4-1)17-14-10-6-3-7-11-15-18-17/h4,8,11-12,15H,1-3,5-7,9-10,13-14H2/b8-4?,15-11?,16-12?,18-17+
InChIKeyFYUDMEVUCFUXJG-GKEUPQDHSA-N
MW243.39 g/mol
LogP5.35
Rot. Bonds1

About 2-cyclonona-1,3-dien-1-yl-4,5,6,7-tetrahydro-3H-azonine

2-cyclonona-1,3-dien-1-yl-4,5,6,7-tetrahydro-3H-azonine (PubChem CID 67020392) has the molecular formula C17H25N and a molecular weight of 243.39 g/mol. Its IUPAC name is 2-cyclonona-1,3-dien-1-yl-4,5,6,7-tetrahydro-3H-azonine.

Molecular Properties

Compound Name2-cyclonona-1,3-dien-1-yl-4,5,6,7-tetrahydro-3H-azonine
PubChem CID67020392
Molecular FormulaC17H25N
Molecular Weight243.39 g/mol
Exact Mass243.20
IUPAC Name2-cyclonona-1,3-dien-1-yl-4,5,6,7-tetrahydro-3H-azonine
SMILESC1=CCCCCCC(/C2=N/C=CCCCCC2)=C1
InChIInChI=1S/C17H25N/c1-2-5-9-13-16(12-8-4-1)17-14-10-6-3-7-11-15-18-17/h4,8,11-12,15H,1-3,5-7,9-10,13-14H2/b8-4?,15-11?,16-12?,18-17+
InChIKeyFYUDMEVUCFUXJG-GKEUPQDHSA-N
XLogP5.35
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500243.39
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-cyclonona-1,3-dien-1-yl-4,5,6,7-tetrahydro-3H-azonine?
The IUPAC name of 2-cyclonona-1,3-dien-1-yl-4,5,6,7-tetrahydro-3H-azonine (CID 67020392) is 2-cyclonona-1,3-dien-1-yl-4,5,6,7-tetrahydro-3H-azonine.
What is the SMILES notation for 2-cyclonona-1,3-dien-1-yl-4,5,6,7-tetrahydro-3H-azonine?
The canonical SMILES for 2-cyclonona-1,3-dien-1-yl-4,5,6,7-tetrahydro-3H-azonine is C1=CCCCCCC(/C2=N/C=CCCCCC2)=C1.
What is the InChIKey of 2-cyclonona-1,3-dien-1-yl-4,5,6,7-tetrahydro-3H-azonine?
The InChIKey is FYUDMEVUCFUXJG-GKEUPQDHSA-N. The full InChI is InChI=1S/C17H25N/c1-2-5-9-13-16(12-8-4-1)17-14-10-6-3-7-11-15-18-17/h4,8,11-12,15H,1-3,5-7,9-10,13-14H2/b8-4?,15-11?,16-12?,18-17+.
What are the key properties of 2-cyclonona-1,3-dien-1-yl-4,5,6,7-tetrahydro-3H-azonine?
2-cyclonona-1,3-dien-1-yl-4,5,6,7-tetrahydro-3H-azonine has a molecular weight of 243.39 g/mol, XLogP of 5.35, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclonona-1,3-dien-1-yl-4,5,6,7-tetrahydro-3H-azonine is sourced from PubChem (CID 67020392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).