3-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)but-3-en-1-ol

C13H23NO — CID 112680826

IUPAC3-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)but-3-en-1-ol
SMILESC=C(C)CC(O)C1CC2CCC(C1)N2C
InChIInChI=1S/C13H23NO/c1-9(2)6-13(15)10-7-11-4-5-12(8-10)14(11)3/h10-13,15H,1,4-8H2,2-3H3
InChIKeyAZEGVHSUMKQWAE-UHFFFAOYSA-N
MW209.33 g/mol
LogP2.19
Rot. Bonds3

About 3-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)but-3-en-1-ol

3-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)but-3-en-1-ol (PubChem CID 112680826) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is 3-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)but-3-en-1-ol.

Molecular Properties

Compound Name3-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)but-3-en-1-ol
PubChem CID112680826
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name3-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)but-3-en-1-ol
SMILESC=C(C)CC(O)C1CC2CCC(C1)N2C
InChIInChI=1S/C13H23NO/c1-9(2)6-13(15)10-7-11-4-5-12(8-10)14(11)3/h10-13,15H,1,4-8H2,2-3H3
InChIKeyAZEGVHSUMKQWAE-UHFFFAOYSA-N
XLogP2.19
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 52.19
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

(7R,8S,8aS)-7-prop-1-en-2-yl-1,2,3,5,6,7,8,8a-octahydroindolizin-8-ol
CID 21598230
2-(1,2,3,4,5,8-Hexahydro-3-hydroxynaphthalenyl)-1-methylpyrrolidine
CID 20387372
1-(8-Tert-butyl-8-azabicyclo[3.2.1]octan-3-yl)ethenol
CID 57910935
(1R,2R,3S,5S)-2-[(E)-2-chloroethenyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-ol
CID 10352802
(1R,2R,3S,5S)-2-ethenyl-8-methyl-8-azabicyclo[3.2.1]octan-3-ol
CID 10442070
(7S,8R,8aR)-7-prop-1-en-2-yl-1,2,3,5,6,7,8,8a-octahydroindolizin-8-ol
CID 102063175
(7R,8R,8aS)-7-prop-1-en-2-yl-1,2,3,5,6,7,8,8a-octahydroindolizin-8-ol
CID 102063176
(7S,8S,8aR)-7-prop-1-en-2-yl-1,2,3,5,6,7,8,8a-octahydroindolizin-8-ol
CID 102063177
8-(3-Methylhex-5-en-2-yl)-8-azabicyclo[3.2.1]octan-3-ol
CID 104168046
1-(8-Methyl-8-azabicyclo[3.2.1]octan-3-yl)oct-7-en-1-ol
CID 107008693
2-Methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)pentan-1-ol
CID 107893028
5-Methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)hexan-1-ol
CID 112680773

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)but-3-en-1-ol?
The IUPAC name of 3-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)but-3-en-1-ol (CID 112680826) is 3-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)but-3-en-1-ol.
What is the SMILES notation for 3-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)but-3-en-1-ol?
The canonical SMILES for 3-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)but-3-en-1-ol is C=C(C)CC(O)C1CC2CCC(C1)N2C.
What is the InChIKey of 3-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)but-3-en-1-ol?
The InChIKey is AZEGVHSUMKQWAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO/c1-9(2)6-13(15)10-7-11-4-5-12(8-10)14(11)3/h10-13,15H,1,4-8H2,2-3H3.
What are the key properties of 3-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)but-3-en-1-ol?
3-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)but-3-en-1-ol has a molecular weight of 209.33 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)but-3-en-1-ol is sourced from PubChem (CID 112680826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).