8-methyl-3-pentadecyl-8-azabicyclo[3.2.1]octan-3-ol

C23H45NO — CID 171953542

IUPAC8-methyl-3-pentadecyl-8-azabicyclo[3.2.1]octan-3-ol
SMILESCCCCCCCCCCCCCCCC1(O)CC2CCC(C1)N2C
InChIInChI=1S/C23H45NO/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-23(25)19-21-16-17-22(20-23)24(21)2/h21-22,25H,3-20H2,1-2H3
InChIKeyDZJGENKOKDRDHK-UHFFFAOYSA-N
MW351.62 g/mol
LogP6.46
Rot. Bonds14

About 8-methyl-3-pentadecyl-8-azabicyclo[3.2.1]octan-3-ol

8-methyl-3-pentadecyl-8-azabicyclo[3.2.1]octan-3-ol (PubChem CID 171953542) has the molecular formula C23H45NO and a molecular weight of 351.62 g/mol. Its IUPAC name is 8-methyl-3-pentadecyl-8-azabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name8-methyl-3-pentadecyl-8-azabicyclo[3.2.1]octan-3-ol
PubChem CID171953542
Molecular FormulaC23H45NO
Molecular Weight351.62 g/mol
Exact Mass351.35
IUPAC Name8-methyl-3-pentadecyl-8-azabicyclo[3.2.1]octan-3-ol
SMILESCCCCCCCCCCCCCCCC1(O)CC2CCC(C1)N2C
InChIInChI=1S/C23H45NO/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-23(25)19-21-16-17-22(20-23)24(21)2/h21-22,25H,3-20H2,1-2H3
InChIKeyDZJGENKOKDRDHK-UHFFFAOYSA-N
XLogP6.46
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.62
LogP ≤ 56.46
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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Related Compounds

9-methyl-3-pentyl-9-azabicyclo[3.3.1]nonan-3-ol
CID 171952833
3-dec-9-enyl-8-methyl-8-azabicyclo[3.2.1]octan-3-ol
CID 171955867
9-methyl-3-propyl-9-azabicyclo[3.3.1]nonan-3-ol
CID 171953156
3-but-3-ynyl-8-methyl-8-azabicyclo[3.2.1]octan-3-ol
CID 171952605
8-benzyl-3-octyl-8-azabicyclo[3.2.1]octan-3-ol
CID 171959524
8-benzyl-3-decyl-8-azabicyclo[3.2.1]octan-3-ol
CID 171955895
3-dodecyl-8-azabicyclo[3.2.1]octan-3-ol
CID 65145844
3-(3-hydroxy-8-methyl-8-azabicyclo[3.2.1]octan-3-yl)propanenitrile
CID 171952392
3-heptyl-8-oxabicyclo[3.2.1]octan-3-ol
CID 171964257
3-octyl-9-thiabicyclo[3.3.1]nonan-3-ol
CID 171959535
1-cyclopropyl-3-hexylpyrrolidin-3-ol
CID 65145661
3-ethoxy-1-hexylcyclobutan-1-ol
CID 106823263

Frequently Asked Questions

What is the IUPAC name of 8-methyl-3-pentadecyl-8-azabicyclo[3.2.1]octan-3-ol?
The IUPAC name of 8-methyl-3-pentadecyl-8-azabicyclo[3.2.1]octan-3-ol (CID 171953542) is 8-methyl-3-pentadecyl-8-azabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for 8-methyl-3-pentadecyl-8-azabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for 8-methyl-3-pentadecyl-8-azabicyclo[3.2.1]octan-3-ol is CCCCCCCCCCCCCCCC1(O)CC2CCC(C1)N2C.
What is the InChIKey of 8-methyl-3-pentadecyl-8-azabicyclo[3.2.1]octan-3-ol?
The InChIKey is DZJGENKOKDRDHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H45NO/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18-23(25)19-21-16-17-22(20-23)24(21)2/h21-22,25H,3-20H2,1-2H3.
What are the key properties of 8-methyl-3-pentadecyl-8-azabicyclo[3.2.1]octan-3-ol?
8-methyl-3-pentadecyl-8-azabicyclo[3.2.1]octan-3-ol has a molecular weight of 351.62 g/mol, XLogP of 6.46, 14 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-3-pentadecyl-8-azabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 171953542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).