1-undec-10-enyl-8-azabicyclo[3.2.1]octane

C18H33N — CID 69030633

IUPAC1-undec-10-enyl-8-azabicyclo[3.2.1]octane
SMILESC=CCCCCCCCCCC12CCCC(CC1)N2
InChIInChI=1S/C18H33N/c1-2-3-4-5-6-7-8-9-10-14-18-15-11-12-17(19-18)13-16-18/h2,17,19H,1,3-16H2
InChIKeyJUZVDFULXQKPDS-UHFFFAOYSA-N
MW263.47 g/mol
LogP5.36
Rot. Bonds10

About 1-undec-10-enyl-8-azabicyclo[3.2.1]octane

1-undec-10-enyl-8-azabicyclo[3.2.1]octane (PubChem CID 69030633) has the molecular formula C18H33N and a molecular weight of 263.47 g/mol. Its IUPAC name is 1-undec-10-enyl-8-azabicyclo[3.2.1]octane.

Molecular Properties

Compound Name1-undec-10-enyl-8-azabicyclo[3.2.1]octane
PubChem CID69030633
Molecular FormulaC18H33N
Molecular Weight263.47 g/mol
Exact Mass263.26
IUPAC Name1-undec-10-enyl-8-azabicyclo[3.2.1]octane
SMILESC=CCCCCCCCCCC12CCCC(CC1)N2
InChIInChI=1S/C18H33N/c1-2-3-4-5-6-7-8-9-10-14-18-15-11-12-17(19-18)13-16-18/h2,17,19H,1,3-16H2
InChIKeyJUZVDFULXQKPDS-UHFFFAOYSA-N
XLogP5.36
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
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 1-undec-10-enyl-8-azabicyclo[3.2.1]octane?
The IUPAC name of 1-undec-10-enyl-8-azabicyclo[3.2.1]octane (CID 69030633) is 1-undec-10-enyl-8-azabicyclo[3.2.1]octane.
What is the SMILES notation for 1-undec-10-enyl-8-azabicyclo[3.2.1]octane?
The canonical SMILES for 1-undec-10-enyl-8-azabicyclo[3.2.1]octane is C=CCCCCCCCCCC12CCCC(CC1)N2.
What is the InChIKey of 1-undec-10-enyl-8-azabicyclo[3.2.1]octane?
The InChIKey is JUZVDFULXQKPDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N/c1-2-3-4-5-6-7-8-9-10-14-18-15-11-12-17(19-18)13-16-18/h2,17,19H,1,3-16H2.
What are the key properties of 1-undec-10-enyl-8-azabicyclo[3.2.1]octane?
1-undec-10-enyl-8-azabicyclo[3.2.1]octane has a molecular weight of 263.47 g/mol, XLogP of 5.36, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-undec-10-enyl-8-azabicyclo[3.2.1]octane is sourced from PubChem (CID 69030633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).