1-[6-(methylamino)cyclohex-3-en-1-yl]ethanol

C9H17NO — CID 143631192

IUPAC1-[6-(methylamino)cyclohex-3-en-1-yl]ethanol
SMILESCNC1CC=CCC1C(C)O
InChIInChI=1S/C9H17NO/c1-7(11)8-5-3-4-6-9(8)10-2/h3-4,7-11H,5-6H2,1-2H3
InChIKeyZYJGAMFFDSWYRR-UHFFFAOYSA-N
MW155.24 g/mol
LogP0.92
Rot. Bonds2

About 1-[6-(methylamino)cyclohex-3-en-1-yl]ethanol

1-[6-(methylamino)cyclohex-3-en-1-yl]ethanol (PubChem CID 143631192) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 1-[6-(methylamino)cyclohex-3-en-1-yl]ethanol.

Molecular Properties

Compound Name1-[6-(methylamino)cyclohex-3-en-1-yl]ethanol
PubChem CID143631192
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name1-[6-(methylamino)cyclohex-3-en-1-yl]ethanol
SMILESCNC1CC=CCC1C(C)O
InChIInChI=1S/C9H17NO/c1-7(11)8-5-3-4-6-9(8)10-2/h3-4,7-11H,5-6H2,1-2H3
InChIKeyZYJGAMFFDSWYRR-UHFFFAOYSA-N
XLogP0.92
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 50.92
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

(2S,3S,4R)-2-[(1E,3E,5E)-hepta-1,3,5-trienyl]-3-methylpiperidin-4-ol
CID 101887637
(-)-Pseudoephedrinhydrochlorid
CID 129629514
(1S,2S)-1-cyclohexa-2,4-dien-1-yl-2-(methylamino)propan-1-ol
CID 129629515
(1s,2s)-Pseudoephedrine hydrochloride
CID 129847299
2-(Cyclohex-3-en-1-ylmethylamino)-2-methylpentan-1-ol
CID 75387507
m-Hydroxypseudoephedrine
CID 129705379
1-Cyclohex-3-en-1-yl-2-(cyclohexylamino)ethanol
CID 134924288
2-(Tert-butylamino)-1-cyclohex-3-en-1-ylethanol
CID 134986213
Rel-((1S,6S)-6-aminocyclohex-3-en-1-yl)methanol
CID 7157088
[(1S,6R)-6-aminocyclohex-3-en-1-yl]methanol
CID 13460063
(6-Aminocyclohex-3-en-1-yl)methanol
CID 13460065
1-Cyclohexa-2,5-dien-1-yl-2-(methylamino)propan-1-ol
CID 20758180

Frequently Asked Questions

What is the IUPAC name of 1-[6-(methylamino)cyclohex-3-en-1-yl]ethanol?
The IUPAC name of 1-[6-(methylamino)cyclohex-3-en-1-yl]ethanol (CID 143631192) is 1-[6-(methylamino)cyclohex-3-en-1-yl]ethanol.
What is the SMILES notation for 1-[6-(methylamino)cyclohex-3-en-1-yl]ethanol?
The canonical SMILES for 1-[6-(methylamino)cyclohex-3-en-1-yl]ethanol is CNC1CC=CCC1C(C)O.
What is the InChIKey of 1-[6-(methylamino)cyclohex-3-en-1-yl]ethanol?
The InChIKey is ZYJGAMFFDSWYRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-7(11)8-5-3-4-6-9(8)10-2/h3-4,7-11H,5-6H2,1-2H3.
What are the key properties of 1-[6-(methylamino)cyclohex-3-en-1-yl]ethanol?
1-[6-(methylamino)cyclohex-3-en-1-yl]ethanol has a molecular weight of 155.24 g/mol, XLogP of 0.92, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(methylamino)cyclohex-3-en-1-yl]ethanol is sourced from PubChem (CID 143631192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).