8-methyl-3-(3-methylbut-2-enyl)-8-azabicyclo[3.2.1]octan-3-ol

C13H23NO — CID 171952848

IUPAC8-methyl-3-(3-methylbut-2-enyl)-8-azabicyclo[3.2.1]octan-3-ol
SMILESCC(C)=CCC1(O)CC2CCC(C1)N2C
InChIInChI=1S/C13H23NO/c1-10(2)6-7-13(15)8-11-4-5-12(9-13)14(11)3/h6,11-12,15H,4-5,7-9H2,1-3H3
InChIKeyXYFSEIGFKOHYEO-UHFFFAOYSA-N
MW209.33 g/mol
LogP2.33
Rot. Bonds2

About 8-methyl-3-(3-methylbut-2-enyl)-8-azabicyclo[3.2.1]octan-3-ol

8-methyl-3-(3-methylbut-2-enyl)-8-azabicyclo[3.2.1]octan-3-ol (PubChem CID 171952848) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is 8-methyl-3-(3-methylbut-2-enyl)-8-azabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name8-methyl-3-(3-methylbut-2-enyl)-8-azabicyclo[3.2.1]octan-3-ol
PubChem CID171952848
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name8-methyl-3-(3-methylbut-2-enyl)-8-azabicyclo[3.2.1]octan-3-ol
SMILESCC(C)=CCC1(O)CC2CCC(C1)N2C
InChIInChI=1S/C13H23NO/c1-10(2)6-7-13(15)8-11-4-5-12(9-13)14(11)3/h6,11-12,15H,4-5,7-9H2,1-3H3
InChIKeyXYFSEIGFKOHYEO-UHFFFAOYSA-N
XLogP2.33
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(1S,5R)-8-methyl-3-prop-2-enyl-8-azabicyclo[3.2.1]octan-3-ol
CID 1503687
8-Methyl-3-prop-2-enyl-8-azabicyclo[3.2.1]octan-3-ol
CID 4916803
(1S,5S)-8-methyl-3-prop-2-enyl-8-azabicyclo[3.2.1]octan-3-ol
CID 6987598
(1R,5R)-8-methyl-3-prop-2-enyl-8-azabicyclo[3.2.1]octan-3-ol
CID 7223736
(1R,2R,3S,5S)-2-ethenyl-8-methyl-8-azabicyclo[3.2.1]octan-3-ol
CID 10442070
2-[(1S,2R,5R)-8-methyl-8-azabicyclo[3.2.1]oct-3-en-2-yl]propan-2-ol
CID 10845125
(1R,5S)-8-methyl-3-prop-2-enyl-8-azoniabicyclo[3.2.1]octan-3-ol
CID 11861952
3-(2-Methylprop-1-enyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 79190226
7-(2-methylprop-1-enyl)-2,3,5,6,8,8a-hexahydro-1H-indolizin-7-ol
CID 81611936
4-(Cyclohepten-1-yl)-1-methylpiperidin-4-ol
CID 106650847
4-(Cyclohepten-1-yl)-1-ethylpiperidin-4-ol
CID 106650850
4-(Cyclohexen-1-yl)-1-propan-2-ylpiperidin-4-ol
CID 106650854

Frequently Asked Questions

What is the IUPAC name of 8-methyl-3-(3-methylbut-2-enyl)-8-azabicyclo[3.2.1]octan-3-ol?
The IUPAC name of 8-methyl-3-(3-methylbut-2-enyl)-8-azabicyclo[3.2.1]octan-3-ol (CID 171952848) is 8-methyl-3-(3-methylbut-2-enyl)-8-azabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for 8-methyl-3-(3-methylbut-2-enyl)-8-azabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for 8-methyl-3-(3-methylbut-2-enyl)-8-azabicyclo[3.2.1]octan-3-ol is CC(C)=CCC1(O)CC2CCC(C1)N2C.
What is the InChIKey of 8-methyl-3-(3-methylbut-2-enyl)-8-azabicyclo[3.2.1]octan-3-ol?
The InChIKey is XYFSEIGFKOHYEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO/c1-10(2)6-7-13(15)8-11-4-5-12(9-13)14(11)3/h6,11-12,15H,4-5,7-9H2,1-3H3.
What are the key properties of 8-methyl-3-(3-methylbut-2-enyl)-8-azabicyclo[3.2.1]octan-3-ol?
8-methyl-3-(3-methylbut-2-enyl)-8-azabicyclo[3.2.1]octan-3-ol has a molecular weight of 209.33 g/mol, XLogP of 2.33, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-3-(3-methylbut-2-enyl)-8-azabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 171952848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).