3-(6-methyl-6-azabicyclo[3.2.2]non-2-en-2-yl)propan-1-ol

C12H21NO — CID 69286796

IUPAC3-(6-methyl-6-azabicyclo[3.2.2]non-2-en-2-yl)propan-1-ol
SMILESCN1CC2CCC1CC=C2CCCO
InChIInChI=1S/C12H21NO/c1-13-9-11-5-7-12(13)6-4-10(11)3-2-8-14/h4,11-12,14H,2-3,5-9H2,1H3
InChIKeyPKZLQOHRFKRLBH-UHFFFAOYSA-N
MW195.31 g/mol
LogP1.80
Rot. Bonds3

About 3-(6-methyl-6-azabicyclo[3.2.2]non-2-en-2-yl)propan-1-ol

3-(6-methyl-6-azabicyclo[3.2.2]non-2-en-2-yl)propan-1-ol (PubChem CID 69286796) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is 3-(6-methyl-6-azabicyclo[3.2.2]non-2-en-2-yl)propan-1-ol.

Molecular Properties

Compound Name3-(6-methyl-6-azabicyclo[3.2.2]non-2-en-2-yl)propan-1-ol
PubChem CID69286796
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name3-(6-methyl-6-azabicyclo[3.2.2]non-2-en-2-yl)propan-1-ol
SMILESCN1CC2CCC1CC=C2CCCO
InChIInChI=1S/C12H21NO/c1-13-9-11-5-7-12(13)6-4-10(11)3-2-8-14/h4,11-12,14H,2-3,5-9H2,1H3
InChIKeyPKZLQOHRFKRLBH-UHFFFAOYSA-N
XLogP1.80
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 51.80
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-[2-(1,2,3,4,5,8-Hexahydro-3-hydroxynaphthalenyl)ethyl]-1-methylpiperidine
CID 20387388
2-(1-Hydroxy-1-propyl)-(6-methyl-6-azabicyclo[3.2.2]non-2-ene)
CID 67020382
[3-(4-Ethylcyclohex-3-en-1-yl)cyclohex-3-en-1-yl]-piperidin-1-ylmethanol
CID 68341262
[(3E)-5-ethyl-3-ethylidene-1-methylpiperidin-2-yl]methanol
CID 89297578
2-[3,5-Dimethyl-1-(2-methylidenepent-3-enyl)piperidin-2-yl]ethanol
CID 123183755
(E)-3-(2,3-dimethylbutan-2-yl)-2-(2,2-dimethylpentan-3-yl)-6-[methyl-(1-methylpiperidin-4-yl)amino]hex-3-en-1-ol
CID 126660084
(4-Methylcyclohex-3-en-1-yl)-(1-methylpiperidin-4-yl)methanol
CID 163485702
(1-Methyl-5-propan-2-yl-2,3,4,7-tetrahydroazepin-2-yl)methanol
CID 172496622
[(2S)-1-methyl-5-propan-2-yl-2,3,4,7-tetrahydroazepin-2-yl]methanol
CID 172496646
[(2R)-1-methyl-5-propan-2-yl-2,3,4,7-tetrahydroazepin-2-yl]methanol
CID 172496784
2-[3,5-dimethyl-1-[(Z)-2-methylidenepent-3-enyl]piperidin-2-yl]ethanol
CID 173535528
2-[1-(Cyclohex-3-en-1-ylmethyl)piperidin-2-yl]ethanol
CID 109926170

Frequently Asked Questions

What is the IUPAC name of 3-(6-methyl-6-azabicyclo[3.2.2]non-2-en-2-yl)propan-1-ol?
The IUPAC name of 3-(6-methyl-6-azabicyclo[3.2.2]non-2-en-2-yl)propan-1-ol (CID 69286796) is 3-(6-methyl-6-azabicyclo[3.2.2]non-2-en-2-yl)propan-1-ol.
What is the SMILES notation for 3-(6-methyl-6-azabicyclo[3.2.2]non-2-en-2-yl)propan-1-ol?
The canonical SMILES for 3-(6-methyl-6-azabicyclo[3.2.2]non-2-en-2-yl)propan-1-ol is CN1CC2CCC1CC=C2CCCO.
What is the InChIKey of 3-(6-methyl-6-azabicyclo[3.2.2]non-2-en-2-yl)propan-1-ol?
The InChIKey is PKZLQOHRFKRLBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c1-13-9-11-5-7-12(13)6-4-10(11)3-2-8-14/h4,11-12,14H,2-3,5-9H2,1H3.
What are the key properties of 3-(6-methyl-6-azabicyclo[3.2.2]non-2-en-2-yl)propan-1-ol?
3-(6-methyl-6-azabicyclo[3.2.2]non-2-en-2-yl)propan-1-ol has a molecular weight of 195.31 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-methyl-6-azabicyclo[3.2.2]non-2-en-2-yl)propan-1-ol is sourced from PubChem (CID 69286796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).