8-methyl-3-(4-methylpent-3-enyl)-8-azabicyclo[3.2.1]octan-3-ol

C14H25NO — CID 171952147

IUPAC8-methyl-3-(4-methylpent-3-enyl)-8-azabicyclo[3.2.1]octan-3-ol
SMILESCC(C)=CCCC1(O)CC2CCC(C1)N2C
InChIInChI=1S/C14H25NO/c1-11(2)5-4-8-14(16)9-12-6-7-13(10-14)15(12)3/h5,12-13,16H,4,6-10H2,1-3H3
InChIKeyBGQNAXZFWYOSAW-UHFFFAOYSA-N
MW223.36 g/mol
LogP2.72
Rot. Bonds3

About 8-methyl-3-(4-methylpent-3-enyl)-8-azabicyclo[3.2.1]octan-3-ol

8-methyl-3-(4-methylpent-3-enyl)-8-azabicyclo[3.2.1]octan-3-ol (PubChem CID 171952147) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is 8-methyl-3-(4-methylpent-3-enyl)-8-azabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name8-methyl-3-(4-methylpent-3-enyl)-8-azabicyclo[3.2.1]octan-3-ol
PubChem CID171952147
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC Name8-methyl-3-(4-methylpent-3-enyl)-8-azabicyclo[3.2.1]octan-3-ol
SMILESCC(C)=CCCC1(O)CC2CCC(C1)N2C
InChIInChI=1S/C14H25NO/c1-11(2)5-4-8-14(16)9-12-6-7-13(10-14)15(12)3/h5,12-13,16H,4,6-10H2,1-3H3
InChIKeyBGQNAXZFWYOSAW-UHFFFAOYSA-N
XLogP2.72
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-(8-Tert-butyl-8-azabicyclo[3.2.1]octan-3-yl)ethenol
CID 57910935
(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
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
1-(2-methylprop-1-enyl)-3,5,6,7,8,8a-hexahydro-2H-indolizin-1-ol
CID 81886676
(1S,5S)-8-[[(1R,6S)-2,6-dimethylcyclohex-2-en-1-yl]methyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 100662151
2-[(1R,6R)-9-methyl-9-azabicyclo[4.2.1]non-2-en-2-yl]propan-2-ol
CID 101613769

Frequently Asked Questions

What is the IUPAC name of 8-methyl-3-(4-methylpent-3-enyl)-8-azabicyclo[3.2.1]octan-3-ol?
The IUPAC name of 8-methyl-3-(4-methylpent-3-enyl)-8-azabicyclo[3.2.1]octan-3-ol (CID 171952147) is 8-methyl-3-(4-methylpent-3-enyl)-8-azabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for 8-methyl-3-(4-methylpent-3-enyl)-8-azabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for 8-methyl-3-(4-methylpent-3-enyl)-8-azabicyclo[3.2.1]octan-3-ol is CC(C)=CCCC1(O)CC2CCC(C1)N2C.
What is the InChIKey of 8-methyl-3-(4-methylpent-3-enyl)-8-azabicyclo[3.2.1]octan-3-ol?
The InChIKey is BGQNAXZFWYOSAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO/c1-11(2)5-4-8-14(16)9-12-6-7-13(10-14)15(12)3/h5,12-13,16H,4,6-10H2,1-3H3.
What are the key properties of 8-methyl-3-(4-methylpent-3-enyl)-8-azabicyclo[3.2.1]octan-3-ol?
8-methyl-3-(4-methylpent-3-enyl)-8-azabicyclo[3.2.1]octan-3-ol has a molecular weight of 223.36 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-3-(4-methylpent-3-enyl)-8-azabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 171952147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).