8-(cyclohex-3-en-1-ylmethyl)-8-azabicyclo[3.2.1]octan-3-ol

C14H23NO — CID 115880160

IUPAC8-(cyclohex-3-en-1-ylmethyl)-8-azabicyclo[3.2.1]octan-3-ol
SMILESOC1CC2CCC(C1)N2CC1CC=CCC1
InChIInChI=1S/C14H23NO/c16-14-8-12-6-7-13(9-14)15(12)10-11-4-2-1-3-5-11/h1-2,11-14,16H,3-10H2
InChIKeyYTZCOTIFPSQSFO-UHFFFAOYSA-N
MW221.34 g/mol
LogP2.33
Rot. Bonds2

About 8-(cyclohex-3-en-1-ylmethyl)-8-azabicyclo[3.2.1]octan-3-ol

8-(cyclohex-3-en-1-ylmethyl)-8-azabicyclo[3.2.1]octan-3-ol (PubChem CID 115880160) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 8-(cyclohex-3-en-1-ylmethyl)-8-azabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name8-(cyclohex-3-en-1-ylmethyl)-8-azabicyclo[3.2.1]octan-3-ol
PubChem CID115880160
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name8-(cyclohex-3-en-1-ylmethyl)-8-azabicyclo[3.2.1]octan-3-ol
SMILESOC1CC2CCC(C1)N2CC1CC=CCC1
InChIInChI=1S/C14H23NO/c16-14-8-12-6-7-13(9-14)15(12)10-11-4-2-1-3-5-11/h1-2,11-14,16H,3-10H2
InChIKeyYTZCOTIFPSQSFO-UHFFFAOYSA-N
XLogP2.33
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
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

2,4,8-Trimethyl-8-azabicyclo[3.2.1]oct-6-en-3-ol
CID 21487025
(1S,5R)-8-[2-(1-propan-2-yl-3,6-dihydro-2H-pyridin-4-yl)propan-2-yl]-8-azabicyclo[3.2.1]octan-3-ol
CID 156456066
(1R,2R,3S,5S)-2-ethenyl-8-methyl-8-azabicyclo[3.2.1]octan-3-ol
CID 10442070
8-(Cyclohex-3-ene-1-carbonyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 63763609
8-Pent-4-enyl-8-azabicyclo[3.2.1]octan-3-ol
CID 64298778
8-But-3-enyl-8-azabicyclo[3.2.1]octan-3-ol
CID 64298779
(1S,5S)-8-[[(1R,6S)-2,6-dimethylcyclohex-2-en-1-yl]methyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 100662151
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
8-Hept-6-enyl-8-azabicyclo[3.2.1]octan-3-ol
CID 107010099
2-[1-(2-Bicyclo[2.2.1]hept-5-enylmethyl)piperidin-2-yl]ethanol
CID 109926169
2-[1-(Cyclohex-3-en-1-ylmethyl)piperidin-2-yl]ethanol
CID 109926170

Frequently Asked Questions

What is the IUPAC name of 8-(cyclohex-3-en-1-ylmethyl)-8-azabicyclo[3.2.1]octan-3-ol?
The IUPAC name of 8-(cyclohex-3-en-1-ylmethyl)-8-azabicyclo[3.2.1]octan-3-ol (CID 115880160) is 8-(cyclohex-3-en-1-ylmethyl)-8-azabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for 8-(cyclohex-3-en-1-ylmethyl)-8-azabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for 8-(cyclohex-3-en-1-ylmethyl)-8-azabicyclo[3.2.1]octan-3-ol is OC1CC2CCC(C1)N2CC1CC=CCC1.
What is the InChIKey of 8-(cyclohex-3-en-1-ylmethyl)-8-azabicyclo[3.2.1]octan-3-ol?
The InChIKey is YTZCOTIFPSQSFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c16-14-8-12-6-7-13(9-14)15(12)10-11-4-2-1-3-5-11/h1-2,11-14,16H,3-10H2.
What are the key properties of 8-(cyclohex-3-en-1-ylmethyl)-8-azabicyclo[3.2.1]octan-3-ol?
8-(cyclohex-3-en-1-ylmethyl)-8-azabicyclo[3.2.1]octan-3-ol has a molecular weight of 221.34 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-(cyclohex-3-en-1-ylmethyl)-8-azabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 115880160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).