9-methyl-3-pentyl-9-azabicyclo[3.3.1]nonan-3-ol

C14H27NO — CID 171952833

IUPAC9-methyl-3-pentyl-9-azabicyclo[3.3.1]nonan-3-ol
SMILESCCCCCC1(O)CC2CCCC(C1)N2C
InChIInChI=1S/C14H27NO/c1-3-4-5-9-14(16)10-12-7-6-8-13(11-14)15(12)2/h12-13,16H,3-11H2,1-2H3
InChIKeyXBELLFRFWZPTDR-UHFFFAOYSA-N
MW225.38 g/mol
LogP2.94
Rot. Bonds4

About 9-methyl-3-pentyl-9-azabicyclo[3.3.1]nonan-3-ol

9-methyl-3-pentyl-9-azabicyclo[3.3.1]nonan-3-ol (PubChem CID 171952833) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is 9-methyl-3-pentyl-9-azabicyclo[3.3.1]nonan-3-ol.

Molecular Properties

Compound Name9-methyl-3-pentyl-9-azabicyclo[3.3.1]nonan-3-ol
PubChem CID171952833
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name9-methyl-3-pentyl-9-azabicyclo[3.3.1]nonan-3-ol
SMILESCCCCCC1(O)CC2CCCC(C1)N2C
InChIInChI=1S/C14H27NO/c1-3-4-5-9-14(16)10-12-7-6-8-13(11-14)15(12)2/h12-13,16H,3-11H2,1-2H3
InChIKeyXBELLFRFWZPTDR-UHFFFAOYSA-N
XLogP2.94
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 52.94
H-Bond Donors ≤ 51
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 9-methyl-3-pentyl-9-azabicyclo[3.3.1]nonan-3-ol?
The IUPAC name of 9-methyl-3-pentyl-9-azabicyclo[3.3.1]nonan-3-ol (CID 171952833) is 9-methyl-3-pentyl-9-azabicyclo[3.3.1]nonan-3-ol.
What is the SMILES notation for 9-methyl-3-pentyl-9-azabicyclo[3.3.1]nonan-3-ol?
The canonical SMILES for 9-methyl-3-pentyl-9-azabicyclo[3.3.1]nonan-3-ol is CCCCCC1(O)CC2CCCC(C1)N2C.
What is the InChIKey of 9-methyl-3-pentyl-9-azabicyclo[3.3.1]nonan-3-ol?
The InChIKey is XBELLFRFWZPTDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO/c1-3-4-5-9-14(16)10-12-7-6-8-13(11-14)15(12)2/h12-13,16H,3-11H2,1-2H3.
What are the key properties of 9-methyl-3-pentyl-9-azabicyclo[3.3.1]nonan-3-ol?
9-methyl-3-pentyl-9-azabicyclo[3.3.1]nonan-3-ol has a molecular weight of 225.38 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-3-pentyl-9-azabicyclo[3.3.1]nonan-3-ol is sourced from PubChem (CID 171952833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).