3-pentyl-8-azabicyclo[3.2.1]octan-3-ol

C12H23NO — CID 65146057

IUPAC3-pentyl-8-azabicyclo[3.2.1]octan-3-ol
SMILESCCCCCC1(O)CC2CCC(C1)N2
InChIInChI=1S/C12H23NO/c1-2-3-4-7-12(14)8-10-5-6-11(9-12)13-10/h10-11,13-14H,2-9H2,1H3
InChIKeyUETPIRIQMBKHMK-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.21
Rot. Bonds4

About 3-pentyl-8-azabicyclo[3.2.1]octan-3-ol

3-pentyl-8-azabicyclo[3.2.1]octan-3-ol (PubChem CID 65146057) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 3-pentyl-8-azabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name3-pentyl-8-azabicyclo[3.2.1]octan-3-ol
PubChem CID65146057
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name3-pentyl-8-azabicyclo[3.2.1]octan-3-ol
SMILESCCCCCC1(O)CC2CCC(C1)N2
InChIInChI=1S/C12H23NO/c1-2-3-4-7-12(14)8-10-5-6-11(9-12)13-10/h10-11,13-14H,2-9H2,1H3
InChIKeyUETPIRIQMBKHMK-UHFFFAOYSA-N
XLogP2.21
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-pentyl-8-azabicyclo[3.2.1]octan-3-ol?
The IUPAC name of 3-pentyl-8-azabicyclo[3.2.1]octan-3-ol (CID 65146057) is 3-pentyl-8-azabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for 3-pentyl-8-azabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for 3-pentyl-8-azabicyclo[3.2.1]octan-3-ol is CCCCCC1(O)CC2CCC(C1)N2.
What is the InChIKey of 3-pentyl-8-azabicyclo[3.2.1]octan-3-ol?
The InChIKey is UETPIRIQMBKHMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-2-3-4-7-12(14)8-10-5-6-11(9-12)13-10/h10-11,13-14H,2-9H2,1H3.
What are the key properties of 3-pentyl-8-azabicyclo[3.2.1]octan-3-ol?
3-pentyl-8-azabicyclo[3.2.1]octan-3-ol has a molecular weight of 197.32 g/mol, XLogP of 2.21, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pentyl-8-azabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 65146057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).