5-(2-hydroxyethylamino)-2-methylcyclohex-3-en-1-ol

C9H17NO2 — CID 123971103

IUPAC5-(2-hydroxyethylamino)-2-methylcyclohex-3-en-1-ol
SMILESCC1C=CC(NCCO)CC1O
InChIInChI=1S/C9H17NO2/c1-7-2-3-8(6-9(7)12)10-4-5-11/h2-3,7-12H,4-6H2,1H3
InChIKeyIAHDMHWLUVUNMY-UHFFFAOYSA-N
MW171.24 g/mol
LogP-0.11
Rot. Bonds3

About 5-(2-hydroxyethylamino)-2-methylcyclohex-3-en-1-ol

5-(2-hydroxyethylamino)-2-methylcyclohex-3-en-1-ol (PubChem CID 123971103) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is 5-(2-hydroxyethylamino)-2-methylcyclohex-3-en-1-ol.

Molecular Properties

Compound Name5-(2-hydroxyethylamino)-2-methylcyclohex-3-en-1-ol
PubChem CID123971103
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name5-(2-hydroxyethylamino)-2-methylcyclohex-3-en-1-ol
SMILESCC1C=CC(NCCO)CC1O
InChIInChI=1S/C9H17NO2/c1-7-2-3-8(6-9(7)12)10-4-5-11/h2-3,7-12H,4-6H2,1H3
InChIKeyIAHDMHWLUVUNMY-UHFFFAOYSA-N
XLogP-0.11
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 5-0.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-(2-hydroxyethylamino)-2-methylcyclohex-3-en-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S,3S,4R)-2-[(1E,3E,5E)-hepta-1,3,5-trienyl]-3-methylpiperidin-4-ol
CID 101887637
(1S,2S,3S,6R)-6-(2-methylpropylamino)cyclohex-4-ene-1,2,3-triol;hydrochloride
CID 127034622
(1S,2S,3S,6R)-6-(2-ethylbutylamino)cyclohex-4-ene-1,2,3-triol;hydrochloride
CID 127034624
(1S,2S,3S,6R)-6-(3-methylbutylamino)cyclohex-4-ene-1,2,3-triol;hydrochloride
CID 127034630
(-)-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
(2S)-2-[[(1S,4S)-3-fluoro-4-methylcyclohex-2-en-1-yl]amino]butane-1,2-diol
CID 171475187
(1R,6R)-6-(propan-2-ylamino)cyclohex-3-en-1-ol
CID 102264627
m-Hydroxypseudoephedrine
CID 129705379
1-Cyclohex-3-en-1-yl-2-(cyclohexylamino)ethanol
CID 134924288

Frequently Asked Questions

What is the IUPAC name of 5-(2-hydroxyethylamino)-2-methylcyclohex-3-en-1-ol?
The IUPAC name of 5-(2-hydroxyethylamino)-2-methylcyclohex-3-en-1-ol (CID 123971103) is 5-(2-hydroxyethylamino)-2-methylcyclohex-3-en-1-ol.
What is the SMILES notation for 5-(2-hydroxyethylamino)-2-methylcyclohex-3-en-1-ol?
The canonical SMILES for 5-(2-hydroxyethylamino)-2-methylcyclohex-3-en-1-ol is CC1C=CC(NCCO)CC1O.
What is the InChIKey of 5-(2-hydroxyethylamino)-2-methylcyclohex-3-en-1-ol?
The InChIKey is IAHDMHWLUVUNMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-7-2-3-8(6-9(7)12)10-4-5-11/h2-3,7-12H,4-6H2,1H3.
What are the key properties of 5-(2-hydroxyethylamino)-2-methylcyclohex-3-en-1-ol?
5-(2-hydroxyethylamino)-2-methylcyclohex-3-en-1-ol has a molecular weight of 171.24 g/mol, XLogP of -0.11, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-hydroxyethylamino)-2-methylcyclohex-3-en-1-ol is sourced from PubChem (CID 123971103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).