3-hept-6-enyl-8-azabicyclo[3.2.1]octan-3-ol

C14H25NO — CID 171964227

IUPAC3-hept-6-enyl-8-azabicyclo[3.2.1]octan-3-ol
SMILESC=CCCCCCC1(O)CC2CCC(C1)N2
InChIInChI=1S/C14H25NO/c1-2-3-4-5-6-9-14(16)10-12-7-8-13(11-14)15-12/h2,12-13,15-16H,1,3-11H2
InChIKeyOOSCRKOYIQCSOK-UHFFFAOYSA-N
MW223.36 g/mol
LogP2.77
Rot. Bonds6

About 3-hept-6-enyl-8-azabicyclo[3.2.1]octan-3-ol

3-hept-6-enyl-8-azabicyclo[3.2.1]octan-3-ol (PubChem CID 171964227) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is 3-hept-6-enyl-8-azabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name3-hept-6-enyl-8-azabicyclo[3.2.1]octan-3-ol
PubChem CID171964227
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC Name3-hept-6-enyl-8-azabicyclo[3.2.1]octan-3-ol
SMILESC=CCCCCCC1(O)CC2CCC(C1)N2
InChIInChI=1S/C14H25NO/c1-2-3-4-5-6-9-14(16)10-12-7-8-13(11-14)15-12/h2,12-13,15-16H,1,3-11H2
InChIKeyOOSCRKOYIQCSOK-UHFFFAOYSA-N
XLogP2.77
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-hept-6-enyl-8-azabicyclo[3.2.1]octan-3-ol?
The IUPAC name of 3-hept-6-enyl-8-azabicyclo[3.2.1]octan-3-ol (CID 171964227) is 3-hept-6-enyl-8-azabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for 3-hept-6-enyl-8-azabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for 3-hept-6-enyl-8-azabicyclo[3.2.1]octan-3-ol is C=CCCCCCC1(O)CC2CCC(C1)N2.
What is the InChIKey of 3-hept-6-enyl-8-azabicyclo[3.2.1]octan-3-ol?
The InChIKey is OOSCRKOYIQCSOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO/c1-2-3-4-5-6-9-14(16)10-12-7-8-13(11-14)15-12/h2,12-13,15-16H,1,3-11H2.
What are the key properties of 3-hept-6-enyl-8-azabicyclo[3.2.1]octan-3-ol?
3-hept-6-enyl-8-azabicyclo[3.2.1]octan-3-ol has a molecular weight of 223.36 g/mol, XLogP of 2.77, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hept-6-enyl-8-azabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 171964227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).