9-[(1E)-cyclononen-1-yl]-3,4,5,6,7,8-hexahydro-2H-azonine

C17H29N — CID 67125311

IUPAC9-[(1E)-cyclononen-1-yl]-3,4,5,6,7,8-hexahydro-2H-azonine
SMILESC1=C(C2=N/CCCCCCC/2)\CCCCCCC/1
InChIInChI=1S/C17H29N/c1-2-5-9-13-16(12-8-4-1)17-14-10-6-3-7-11-15-18-17/h12H,1-11,13-15H2/b16-12+,18-17+
InChIKeyFNFPZUCKFZDHTN-FLSNKKGVSA-N
MW247.43 g/mol
LogP5.45
Rot. Bonds1

About 9-[(1E)-cyclononen-1-yl]-3,4,5,6,7,8-hexahydro-2H-azonine

9-[(1E)-cyclononen-1-yl]-3,4,5,6,7,8-hexahydro-2H-azonine (PubChem CID 67125311) has the molecular formula C17H29N and a molecular weight of 247.43 g/mol. Its IUPAC name is 9-[(1E)-cyclononen-1-yl]-3,4,5,6,7,8-hexahydro-2H-azonine.

Molecular Properties

Compound Name9-[(1E)-cyclononen-1-yl]-3,4,5,6,7,8-hexahydro-2H-azonine
PubChem CID67125311
Molecular FormulaC17H29N
Molecular Weight247.43 g/mol
Exact Mass247.23
IUPAC Name9-[(1E)-cyclononen-1-yl]-3,4,5,6,7,8-hexahydro-2H-azonine
SMILESC1=C(C2=N/CCCCCCC/2)\CCCCCCC/1
InChIInChI=1S/C17H29N/c1-2-5-9-13-16(12-8-4-1)17-14-10-6-3-7-11-15-18-17/h12H,1-11,13-15H2/b16-12+,18-17+
InChIKeyFNFPZUCKFZDHTN-FLSNKKGVSA-N
XLogP5.45
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500247.43
LogP ≤ 55.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 9-[(1E)-cyclononen-1-yl]-3,4,5,6,7,8-hexahydro-2H-azonine?
The IUPAC name of 9-[(1E)-cyclononen-1-yl]-3,4,5,6,7,8-hexahydro-2H-azonine (CID 67125311) is 9-[(1E)-cyclononen-1-yl]-3,4,5,6,7,8-hexahydro-2H-azonine.
What is the SMILES notation for 9-[(1E)-cyclononen-1-yl]-3,4,5,6,7,8-hexahydro-2H-azonine?
The canonical SMILES for 9-[(1E)-cyclononen-1-yl]-3,4,5,6,7,8-hexahydro-2H-azonine is C1=C(C2=N/CCCCCCC/2)\CCCCCCC/1.
What is the InChIKey of 9-[(1E)-cyclononen-1-yl]-3,4,5,6,7,8-hexahydro-2H-azonine?
The InChIKey is FNFPZUCKFZDHTN-FLSNKKGVSA-N. The full InChI is InChI=1S/C17H29N/c1-2-5-9-13-16(12-8-4-1)17-14-10-6-3-7-11-15-18-17/h12H,1-11,13-15H2/b16-12+,18-17+.
What are the key properties of 9-[(1E)-cyclononen-1-yl]-3,4,5,6,7,8-hexahydro-2H-azonine?
9-[(1E)-cyclononen-1-yl]-3,4,5,6,7,8-hexahydro-2H-azonine has a molecular weight of 247.43 g/mol, XLogP of 5.45, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(1E)-cyclononen-1-yl]-3,4,5,6,7,8-hexahydro-2H-azonine is sourced from PubChem (CID 67125311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).