2-[(4E,6Z,8E)-9-methyl-2,3-dihydro-1H-azonin-3-yl]ethanol

C11H17NO — CID 145312301

IUPAC2-[(4E,6Z,8E)-9-methyl-2,3-dihydro-1H-azonin-3-yl]ethanol
SMILESC/C1=C\C=C/C=C/C(CCO)CN1
InChIInChI=1S/C11H17NO/c1-10-5-3-2-4-6-11(7-8-13)9-12-10/h2-6,11-13H,7-9H2,1H3/b3-2-,6-4+,10-5+
InChIKeyTYAUAQCGADTABR-URMWCLDHSA-N
MW179.26 g/mol
LogP1.60
Rot. Bonds2

About 2-[(4E,6Z,8E)-9-methyl-2,3-dihydro-1H-azonin-3-yl]ethanol

2-[(4E,6Z,8E)-9-methyl-2,3-dihydro-1H-azonin-3-yl]ethanol (PubChem CID 145312301) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is 2-[(4E,6Z,8E)-9-methyl-2,3-dihydro-1H-azonin-3-yl]ethanol.

Molecular Properties

Compound Name2-[(4E,6Z,8E)-9-methyl-2,3-dihydro-1H-azonin-3-yl]ethanol
PubChem CID145312301
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name2-[(4E,6Z,8E)-9-methyl-2,3-dihydro-1H-azonin-3-yl]ethanol
SMILESC/C1=C\C=C/C=C/C(CCO)CN1
InChIInChI=1S/C11H17NO/c1-10-5-3-2-4-6-11(7-8-13)9-12-10/h2-6,11-13H,7-9H2,1H3/b3-2-,6-4+,10-5+
InChIKeyTYAUAQCGADTABR-URMWCLDHSA-N
XLogP1.60
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(4E,6Z,8E)-9-methyl-2,3-dihydro-1H-azonin-3-yl]ethanol?
The IUPAC name of 2-[(4E,6Z,8E)-9-methyl-2,3-dihydro-1H-azonin-3-yl]ethanol (CID 145312301) is 2-[(4E,6Z,8E)-9-methyl-2,3-dihydro-1H-azonin-3-yl]ethanol.
What is the SMILES notation for 2-[(4E,6Z,8E)-9-methyl-2,3-dihydro-1H-azonin-3-yl]ethanol?
The canonical SMILES for 2-[(4E,6Z,8E)-9-methyl-2,3-dihydro-1H-azonin-3-yl]ethanol is C/C1=C\C=C/C=C/C(CCO)CN1.
What is the InChIKey of 2-[(4E,6Z,8E)-9-methyl-2,3-dihydro-1H-azonin-3-yl]ethanol?
The InChIKey is TYAUAQCGADTABR-URMWCLDHSA-N. The full InChI is InChI=1S/C11H17NO/c1-10-5-3-2-4-6-11(7-8-13)9-12-10/h2-6,11-13H,7-9H2,1H3/b3-2-,6-4+,10-5+.
What are the key properties of 2-[(4E,6Z,8E)-9-methyl-2,3-dihydro-1H-azonin-3-yl]ethanol?
2-[(4E,6Z,8E)-9-methyl-2,3-dihydro-1H-azonin-3-yl]ethanol has a molecular weight of 179.26 g/mol, XLogP of 1.60, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4E,6Z,8E)-9-methyl-2,3-dihydro-1H-azonin-3-yl]ethanol is sourced from PubChem (CID 145312301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).