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

C15H27NO — CID 171952108

IUPAC3-hex-5-enyl-9-methyl-9-azabicyclo[3.3.1]nonan-3-ol
SMILESC=CCCCCC1(O)CC2CCCC(C1)N2C
InChIInChI=1S/C15H27NO/c1-3-4-5-6-10-15(17)11-13-8-7-9-14(12-15)16(13)2/h3,13-14,17H,1,4-12H2,2H3
InChIKeyVXTIVAOHWSUNCH-UHFFFAOYSA-N
MW237.39 g/mol
LogP3.11
Rot. Bonds5

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

3-hex-5-enyl-9-methyl-9-azabicyclo[3.3.1]nonan-3-ol (PubChem CID 171952108) has the molecular formula C15H27NO and a molecular weight of 237.39 g/mol. Its IUPAC name is 3-hex-5-enyl-9-methyl-9-azabicyclo[3.3.1]nonan-3-ol.

Molecular Properties

Compound Name3-hex-5-enyl-9-methyl-9-azabicyclo[3.3.1]nonan-3-ol
PubChem CID171952108
Molecular FormulaC15H27NO
Molecular Weight237.39 g/mol
Exact Mass237.21
IUPAC Name3-hex-5-enyl-9-methyl-9-azabicyclo[3.3.1]nonan-3-ol
SMILESC=CCCCCC1(O)CC2CCCC(C1)N2C
InChIInChI=1S/C15H27NO/c1-3-4-5-6-10-15(17)11-13-8-7-9-14(12-15)16(13)2/h3,13-14,17H,1,4-12H2,2H3
InChIKeyVXTIVAOHWSUNCH-UHFFFAOYSA-N
XLogP3.11
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 53.11
H-Bond Donors ≤ 51
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

9-Methyl-3-(3,3,3-trifluoroprop-1-en-2-yl)-9-azabicyclo[3.3.1]nonan-3-ol
CID 171952304
9-Methyl-3-(3,4,4-trifluorobut-3-enyl)-9-azabicyclo[3.3.1]nonan-3-ol
CID 171964336
3-Methyl-9-(propan-2-yl)-9-azabicyclo[3.3.1]nonan-3-ol
CID 21304869
3-Methyl-9-propyl-9-azabicyclo[3.3.1]nonan-3-ol
CID 45792731
(1S,5R)-3-methyl-9-propan-2-yl-9-azabicyclo[3.3.1]nonan-3-ol
CID 51893329
(1S,5R)-3-methyl-9-propyl-9-azabicyclo[3.3.1]nonan-3-ol
CID 51893331
(1R,5R)-3-methyl-9-propan-2-yl-9-azabicyclo[3.3.1]nonan-3-ol
CID 98053832
(1S,5S)-3-methyl-9-propan-2-yl-9-azabicyclo[3.3.1]nonan-3-ol
CID 98053833
(1R,5R)-3-methyl-9-propyl-9-azabicyclo[3.3.1]nonan-3-ol
CID 98069963
(1S,5S)-3-methyl-9-propyl-9-azabicyclo[3.3.1]nonan-3-ol
CID 98069964
3-Hex-5-enyl-8-methyl-8-azabicyclo[3.2.1]octan-3-ol
CID 171952098
3-Hex-5-enyl-9-azabicyclo[3.3.1]nonan-3-ol
CID 171952107

Frequently Asked Questions

What is the IUPAC name of 3-hex-5-enyl-9-methyl-9-azabicyclo[3.3.1]nonan-3-ol?
The IUPAC name of 3-hex-5-enyl-9-methyl-9-azabicyclo[3.3.1]nonan-3-ol (CID 171952108) is 3-hex-5-enyl-9-methyl-9-azabicyclo[3.3.1]nonan-3-ol.
What is the SMILES notation for 3-hex-5-enyl-9-methyl-9-azabicyclo[3.3.1]nonan-3-ol?
The canonical SMILES for 3-hex-5-enyl-9-methyl-9-azabicyclo[3.3.1]nonan-3-ol is C=CCCCCC1(O)CC2CCCC(C1)N2C.
What is the InChIKey of 3-hex-5-enyl-9-methyl-9-azabicyclo[3.3.1]nonan-3-ol?
The InChIKey is VXTIVAOHWSUNCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO/c1-3-4-5-6-10-15(17)11-13-8-7-9-14(12-15)16(13)2/h3,13-14,17H,1,4-12H2,2H3.
What are the key properties of 3-hex-5-enyl-9-methyl-9-azabicyclo[3.3.1]nonan-3-ol?
3-hex-5-enyl-9-methyl-9-azabicyclo[3.3.1]nonan-3-ol has a molecular weight of 237.39 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hex-5-enyl-9-methyl-9-azabicyclo[3.3.1]nonan-3-ol is sourced from PubChem (CID 171952108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).