3-hex-5-enyl-8-methyl-8-azabicyclo[3.2.1]octan-3-ol

C14H25NO — CID 171952098

IUPAC3-hex-5-enyl-8-methyl-8-azabicyclo[3.2.1]octan-3-ol
SMILESC=CCCCCC1(O)CC2CCC(C1)N2C
InChIInChI=1S/C14H25NO/c1-3-4-5-6-9-14(16)10-12-7-8-13(11-14)15(12)2/h3,12-13,16H,1,4-11H2,2H3
InChIKeyHGVHXBFOLCXKFT-UHFFFAOYSA-N
MW223.36 g/mol
LogP2.72
Rot. Bonds5

About 3-hex-5-enyl-8-methyl-8-azabicyclo[3.2.1]octan-3-ol

3-hex-5-enyl-8-methyl-8-azabicyclo[3.2.1]octan-3-ol (PubChem CID 171952098) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is 3-hex-5-enyl-8-methyl-8-azabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name3-hex-5-enyl-8-methyl-8-azabicyclo[3.2.1]octan-3-ol
PubChem CID171952098
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC Name3-hex-5-enyl-8-methyl-8-azabicyclo[3.2.1]octan-3-ol
SMILESC=CCCCCC1(O)CC2CCC(C1)N2C
InChIInChI=1S/C14H25NO/c1-3-4-5-6-9-14(16)10-12-7-8-13(11-14)15(12)2/h3,12-13,16H,1,4-11H2,2H3
InChIKeyHGVHXBFOLCXKFT-UHFFFAOYSA-N
XLogP2.72
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 52.72
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

3,8-Dimethyl-8-azabicyclo[3.2.1]octan-3-ol
CID 382572
8-Methyl-3-(3,3,3-trifluoroprop-1-en-2-yl)-8-azabicyclo[3.2.1]octan-3-ol
CID 171952294
8-Methyl-3-(3,4,4-trifluorobut-3-enyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 171964326
3-Methyl-8-(propan-2-yl)-8-azabicyclo[3.2.1]octan-3-ol
CID 21304868
3-Ethyl-8-methyl-8-azabicyclo[3.2.1]octan-3-ol
CID 57837532
1-(8-Tert-butyl-8-azabicyclo[3.2.1]octan-3-yl)ethenol
CID 57910935
3-Ethyl-8-propan-2-yl-8-azabicyclo[3.2.1]octan-3-ol
CID 59389168
3,8-Diethyl-8-azabicyclo[3.2.1]octan-3-ol
CID 67587119
(1S,5R)-3,8-dimethyl-8-azabicyclo[3.2.1]octan-3-ol
CID 92168637
Tert-butyl 3-hydroxy-3-prop-2-enyl-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 139971876
8-ethenyl-6-propyl-2,3,5,7,8,8a-hexahydro-1H-indolizin-6-ol
CID 164086081
(1S,5R)-8-methyl-3-prop-2-enyl-8-azabicyclo[3.2.1]octan-3-ol
CID 1503687

Frequently Asked Questions

What is the IUPAC name of 3-hex-5-enyl-8-methyl-8-azabicyclo[3.2.1]octan-3-ol?
The IUPAC name of 3-hex-5-enyl-8-methyl-8-azabicyclo[3.2.1]octan-3-ol (CID 171952098) is 3-hex-5-enyl-8-methyl-8-azabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for 3-hex-5-enyl-8-methyl-8-azabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for 3-hex-5-enyl-8-methyl-8-azabicyclo[3.2.1]octan-3-ol is C=CCCCCC1(O)CC2CCC(C1)N2C.
What is the InChIKey of 3-hex-5-enyl-8-methyl-8-azabicyclo[3.2.1]octan-3-ol?
The InChIKey is HGVHXBFOLCXKFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO/c1-3-4-5-6-9-14(16)10-12-7-8-13(11-14)15(12)2/h3,12-13,16H,1,4-11H2,2H3.
What are the key properties of 3-hex-5-enyl-8-methyl-8-azabicyclo[3.2.1]octan-3-ol?
3-hex-5-enyl-8-methyl-8-azabicyclo[3.2.1]octan-3-ol has a molecular weight of 223.36 g/mol, XLogP of 2.72, 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-8-methyl-8-azabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 171952098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).