3-undecan-6-ylidene-8-azabicyclo[3.2.1]octane

C18H33N — CID 68556558

IUPAC3-undecan-6-ylidene-8-azabicyclo[3.2.1]octane
SMILESCCCCCC(CCCCC)=C1CC2CCC(C1)N2
InChIInChI=1S/C18H33N/c1-3-5-7-9-15(10-8-6-4-2)16-13-17-11-12-18(14-16)19-17/h17-19H,3-14H2,1-2H3
InChIKeyVGKOHHJPZIJRKO-UHFFFAOYSA-N
MW263.47 g/mol
LogP5.36
Rot. Bonds8

About 3-undecan-6-ylidene-8-azabicyclo[3.2.1]octane

3-undecan-6-ylidene-8-azabicyclo[3.2.1]octane (PubChem CID 68556558) has the molecular formula C18H33N and a molecular weight of 263.47 g/mol. Its IUPAC name is 3-undecan-6-ylidene-8-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name3-undecan-6-ylidene-8-azabicyclo[3.2.1]octane
PubChem CID68556558
Molecular FormulaC18H33N
Molecular Weight263.47 g/mol
Exact Mass263.26
IUPAC Name3-undecan-6-ylidene-8-azabicyclo[3.2.1]octane
SMILESCCCCCC(CCCCC)=C1CC2CCC(C1)N2
InChIInChI=1S/C18H33N/c1-3-5-7-9-15(10-8-6-4-2)16-13-17-11-12-18(14-16)19-17/h17-19H,3-14H2,1-2H3
InChIKeyVGKOHHJPZIJRKO-UHFFFAOYSA-N
XLogP5.36
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500263.47
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-undecan-6-ylidene-8-azabicyclo[3.2.1]octane?
The IUPAC name of 3-undecan-6-ylidene-8-azabicyclo[3.2.1]octane (CID 68556558) is 3-undecan-6-ylidene-8-azabicyclo[3.2.1]octane.
What is the SMILES notation for 3-undecan-6-ylidene-8-azabicyclo[3.2.1]octane?
The canonical SMILES for 3-undecan-6-ylidene-8-azabicyclo[3.2.1]octane is CCCCCC(CCCCC)=C1CC2CCC(C1)N2.
What is the InChIKey of 3-undecan-6-ylidene-8-azabicyclo[3.2.1]octane?
The InChIKey is VGKOHHJPZIJRKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N/c1-3-5-7-9-15(10-8-6-4-2)16-13-17-11-12-18(14-16)19-17/h17-19H,3-14H2,1-2H3.
What are the key properties of 3-undecan-6-ylidene-8-azabicyclo[3.2.1]octane?
3-undecan-6-ylidene-8-azabicyclo[3.2.1]octane has a molecular weight of 263.47 g/mol, XLogP of 5.36, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-undecan-6-ylidene-8-azabicyclo[3.2.1]octane is sourced from PubChem (CID 68556558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).