3-ethyl-6-methyl-2,3,4,5,6,9-hexahydro-1H-azonin-4-ol

C11H21NO — CID 123619512

IUPAC3-ethyl-6-methyl-2,3,4,5,6,9-hexahydro-1H-azonin-4-ol
SMILESCCC1CNCC=CC(C)CC1O
InChIInChI=1S/C11H21NO/c1-3-10-8-12-6-4-5-9(2)7-11(10)13/h4-5,9-13H,3,6-8H2,1-2H3
InChIKeyWJPYWTWUKZUNSF-UHFFFAOYSA-N
MW183.29 g/mol
LogP1.56
Rot. Bonds1

About 3-ethyl-6-methyl-2,3,4,5,6,9-hexahydro-1H-azonin-4-ol

3-ethyl-6-methyl-2,3,4,5,6,9-hexahydro-1H-azonin-4-ol (PubChem CID 123619512) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 3-ethyl-6-methyl-2,3,4,5,6,9-hexahydro-1H-azonin-4-ol.

Molecular Properties

Compound Name3-ethyl-6-methyl-2,3,4,5,6,9-hexahydro-1H-azonin-4-ol
PubChem CID123619512
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name3-ethyl-6-methyl-2,3,4,5,6,9-hexahydro-1H-azonin-4-ol
SMILESCCC1CNCC=CC(C)CC1O
InChIInChI=1S/C11H21NO/c1-3-10-8-12-6-4-5-9(2)7-11(10)13/h4-5,9-13H,3,6-8H2,1-2H3
InChIKeyWJPYWTWUKZUNSF-UHFFFAOYSA-N
XLogP1.56
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 143631192
(E,2S,3R,4R)-4-methyl-2-(methylamino)oct-6-en-3-ol
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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-6-methyl-2,3,4,5,6,9-hexahydro-1H-azonin-4-ol?
The IUPAC name of 3-ethyl-6-methyl-2,3,4,5,6,9-hexahydro-1H-azonin-4-ol (CID 123619512) is 3-ethyl-6-methyl-2,3,4,5,6,9-hexahydro-1H-azonin-4-ol.
What is the SMILES notation for 3-ethyl-6-methyl-2,3,4,5,6,9-hexahydro-1H-azonin-4-ol?
The canonical SMILES for 3-ethyl-6-methyl-2,3,4,5,6,9-hexahydro-1H-azonin-4-ol is CCC1CNCC=CC(C)CC1O.
What is the InChIKey of 3-ethyl-6-methyl-2,3,4,5,6,9-hexahydro-1H-azonin-4-ol?
The InChIKey is WJPYWTWUKZUNSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-3-10-8-12-6-4-5-9(2)7-11(10)13/h4-5,9-13H,3,6-8H2,1-2H3.
What are the key properties of 3-ethyl-6-methyl-2,3,4,5,6,9-hexahydro-1H-azonin-4-ol?
3-ethyl-6-methyl-2,3,4,5,6,9-hexahydro-1H-azonin-4-ol has a molecular weight of 183.29 g/mol, XLogP of 1.56, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-6-methyl-2,3,4,5,6,9-hexahydro-1H-azonin-4-ol is sourced from PubChem (CID 123619512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).