5-(2-azabicyclo[2.2.1]heptan-2-yl)pentan-1-ol

C11H21NO — CID 62228228

IUPAC5-(2-azabicyclo[2.2.1]heptan-2-yl)pentan-1-ol
SMILESOCCCCCN1CC2CCC1C2
InChIInChI=1S/C11H21NO/c13-7-3-1-2-6-12-9-10-4-5-11(12)8-10/h10-11,13H,1-9H2
InChIKeyCHKLZFQYHPEDMC-UHFFFAOYSA-N
MW183.29 g/mol
LogP1.63
Rot. Bonds5

About 5-(2-azabicyclo[2.2.1]heptan-2-yl)pentan-1-ol

5-(2-azabicyclo[2.2.1]heptan-2-yl)pentan-1-ol (PubChem CID 62228228) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 5-(2-azabicyclo[2.2.1]heptan-2-yl)pentan-1-ol.

Molecular Properties

Compound Name5-(2-azabicyclo[2.2.1]heptan-2-yl)pentan-1-ol
PubChem CID62228228
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name5-(2-azabicyclo[2.2.1]heptan-2-yl)pentan-1-ol
SMILESOCCCCCN1CC2CCC1C2
InChIInChI=1S/C11H21NO/c13-7-3-1-2-6-12-9-10-4-5-11(12)8-10/h10-11,13H,1-9H2
InChIKeyCHKLZFQYHPEDMC-UHFFFAOYSA-N
XLogP1.63
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 51.63
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

2-(3-fluoropropyl)-2-azabicyclo[2.2.1]heptane
CID 130686554
2-[(1R,4S)-2-azabicyclo[2.2.1]heptan-2-yl]ethanamine
CID 94247679
5-(2-azabicyclo[2.2.1]heptan-2-yl)-N-(2-methylpropyl)pentan-1-amine
CID 55072518
4-(2-azabicyclo[2.2.1]heptan-2-yl)-2-(methylamino)butan-1-ol
CID 64826359
4-(2-azabicyclo[2.2.1]heptan-2-yl)-N-tert-butylbutan-1-amine
CID 62435119
2-(3-piperidin-4-ylpropyl)-2-azabicyclo[2.2.1]heptane
CID 62212534
5-(2-azabicyclo[2.2.1]heptan-2-yl)-2-ethyl-2-(methylamino)pentan-1-ol
CID 106809483
(1S,4R)-2-[3-[(2-methylpropan-2-yl)oxy]propyl]-2-azabicyclo[2.2.1]heptane
CID 159331621
3-(aminomethyl)-6-(2-azabicyclo[2.2.1]heptan-2-yl)hexan-3-ol
CID 106811259
2-ethyl-2-azabicyclo[2.2.1]heptane
CID 20576
4-(2-azabicyclo[2.2.1]heptan-2-yl)-2-(methylamino)butanoic acid
CID 63054817
ethane;2-ethyl-2-azabicyclo[2.2.1]heptane
CID 172608634

Frequently Asked Questions

What is the IUPAC name of 5-(2-azabicyclo[2.2.1]heptan-2-yl)pentan-1-ol?
The IUPAC name of 5-(2-azabicyclo[2.2.1]heptan-2-yl)pentan-1-ol (CID 62228228) is 5-(2-azabicyclo[2.2.1]heptan-2-yl)pentan-1-ol.
What is the SMILES notation for 5-(2-azabicyclo[2.2.1]heptan-2-yl)pentan-1-ol?
The canonical SMILES for 5-(2-azabicyclo[2.2.1]heptan-2-yl)pentan-1-ol is OCCCCCN1CC2CCC1C2.
What is the InChIKey of 5-(2-azabicyclo[2.2.1]heptan-2-yl)pentan-1-ol?
The InChIKey is CHKLZFQYHPEDMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c13-7-3-1-2-6-12-9-10-4-5-11(12)8-10/h10-11,13H,1-9H2.
What are the key properties of 5-(2-azabicyclo[2.2.1]heptan-2-yl)pentan-1-ol?
5-(2-azabicyclo[2.2.1]heptan-2-yl)pentan-1-ol has a molecular weight of 183.29 g/mol, XLogP of 1.63, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-azabicyclo[2.2.1]heptan-2-yl)pentan-1-ol is sourced from PubChem (CID 62228228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).