3-hex-5-enyl-9-azabicyclo[3.3.1]nonan-3-ol

C14H25NO — CID 171952107

IUPAC3-hex-5-enyl-9-azabicyclo[3.3.1]nonan-3-ol
SMILESC=CCCCCC1(O)CC2CCCC(C1)N2
InChIInChI=1S/C14H25NO/c1-2-3-4-5-9-14(16)10-12-7-6-8-13(11-14)15-12/h2,12-13,15-16H,1,3-11H2
InChIKeyCXIOYYYYCHUZNU-UHFFFAOYSA-N
MW223.36 g/mol
LogP2.77
Rot. Bonds5

About 3-hex-5-enyl-9-azabicyclo[3.3.1]nonan-3-ol

3-hex-5-enyl-9-azabicyclo[3.3.1]nonan-3-ol (PubChem CID 171952107) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is 3-hex-5-enyl-9-azabicyclo[3.3.1]nonan-3-ol.

Molecular Properties

Compound Name3-hex-5-enyl-9-azabicyclo[3.3.1]nonan-3-ol
PubChem CID171952107
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC Name3-hex-5-enyl-9-azabicyclo[3.3.1]nonan-3-ol
SMILESC=CCCCCC1(O)CC2CCCC(C1)N2
InChIInChI=1S/C14H25NO/c1-2-3-4-5-9-14(16)10-12-7-6-8-13(11-14)15-12/h2,12-13,15-16H,1,3-11H2
InChIKeyCXIOYYYYCHUZNU-UHFFFAOYSA-N
XLogP2.77
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
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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Related Compounds

3-(3,3,3-Trifluoroprop-1-en-2-yl)-9-azabicyclo[3.3.1]nonan-3-ol
CID 171952303
3-(3,4,4-Trifluorobut-3-enyl)-9-azabicyclo[3.3.1]nonan-3-ol
CID 171964335
4-Piperidin-2-ylhepta-1,6-dien-4-ol
CID 23007806
3-Methyl-9-azabicyclo[3.3.1]nonan-3-ol
CID 45792730
(1R,5S)-3-methyl-9-azabicyclo[3.3.1]nonan-3-ol
CID 51893327
(1S,5S)-3-methyl-9-azabicyclo[3.3.1]nonan-3-ol
CID 98055791
(1R,5R)-3-methyl-9-azabicyclo[3.3.1]nonan-3-ol
CID 98055792
2-Piperidin-2-ylhex-5-en-2-ol
CID 104656204
2-Methyl-1-piperidin-2-ylbut-3-en-2-ol
CID 116009318
2-Methyl-1-piperidin-2-ylpent-4-en-2-ol
CID 116009513
3-But-3-enyl-8-azabicyclo[3.2.1]octan-3-ol
CID 130847455
3-Hex-5-enyl-8-azabicyclo[3.2.1]octan-3-ol
CID 171952097

Frequently Asked Questions

What is the IUPAC name of 3-hex-5-enyl-9-azabicyclo[3.3.1]nonan-3-ol?
The IUPAC name of 3-hex-5-enyl-9-azabicyclo[3.3.1]nonan-3-ol (CID 171952107) is 3-hex-5-enyl-9-azabicyclo[3.3.1]nonan-3-ol.
What is the SMILES notation for 3-hex-5-enyl-9-azabicyclo[3.3.1]nonan-3-ol?
The canonical SMILES for 3-hex-5-enyl-9-azabicyclo[3.3.1]nonan-3-ol is C=CCCCCC1(O)CC2CCCC(C1)N2.
What is the InChIKey of 3-hex-5-enyl-9-azabicyclo[3.3.1]nonan-3-ol?
The InChIKey is CXIOYYYYCHUZNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO/c1-2-3-4-5-9-14(16)10-12-7-6-8-13(11-14)15-12/h2,12-13,15-16H,1,3-11H2.
What are the key properties of 3-hex-5-enyl-9-azabicyclo[3.3.1]nonan-3-ol?
3-hex-5-enyl-9-azabicyclo[3.3.1]nonan-3-ol has a molecular weight of 223.36 g/mol, XLogP of 2.77, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hex-5-enyl-9-azabicyclo[3.3.1]nonan-3-ol is sourced from PubChem (CID 171952107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).