2-[2-(ethylamino)-5-methylcyclohex-3-en-1-yl]oxyethanol

C11H21NO2 — CID 163973585

IUPAC2-[2-(ethylamino)-5-methylcyclohex-3-en-1-yl]oxyethanol
SMILESCCNC1C=CC(C)CC1OCCO
InChIInChI=1S/C11H21NO2/c1-3-12-10-5-4-9(2)8-11(10)14-7-6-13/h4-5,9-13H,3,6-8H2,1-2H3
InChIKeySSDKSISJHRERFM-UHFFFAOYSA-N
MW199.29 g/mol
LogP0.94
Rot. Bonds5

About 2-[2-(ethylamino)-5-methylcyclohex-3-en-1-yl]oxyethanol

2-[2-(ethylamino)-5-methylcyclohex-3-en-1-yl]oxyethanol (PubChem CID 163973585) has the molecular formula C11H21NO2 and a molecular weight of 199.29 g/mol. Its IUPAC name is 2-[2-(ethylamino)-5-methylcyclohex-3-en-1-yl]oxyethanol.

Molecular Properties

Compound Name2-[2-(ethylamino)-5-methylcyclohex-3-en-1-yl]oxyethanol
PubChem CID163973585
Molecular FormulaC11H21NO2
Molecular Weight199.29 g/mol
Exact Mass199.16
IUPAC Name2-[2-(ethylamino)-5-methylcyclohex-3-en-1-yl]oxyethanol
SMILESCCNC1C=CC(C)CC1OCCO
InChIInChI=1S/C11H21NO2/c1-3-12-10-5-4-9(2)8-11(10)14-7-6-13/h4-5,9-13H,3,6-8H2,1-2H3
InChIKeySSDKSISJHRERFM-UHFFFAOYSA-N
XLogP0.94
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.29
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-[[(1S,4S)-3-fluoro-4-methylcyclohex-2-en-1-yl]amino]butane-1,2-diol
CID 171475187
1-Methoxy-3-(5-methylocta-2,7-dien-4-ylamino)butan-2-ol
CID 123315645
1-(1,2,3,6-Tetrahydropyridin-6-yl)butane-1,2-diol
CID 123327446
5-(2-Hydroxyethylamino)-2-methylcyclohex-3-en-1-ol
CID 123971103
(Z)-2-(dimethylamino)-2-methoxy-6-methyl-9-(methylamino)non-4-ene-1,8-diol
CID 163470269
1-(Tert-butylamino)-3-(cyclohex-3-en-1-ylmethoxy)propan-2-ol
CID 3067065
2-[2-[[(1R)-cyclohex-3-en-1-yl]methylamino]ethoxy]ethanol
CID 28727937
2-[2-[[(1S)-cyclohex-3-en-1-yl]methylamino]ethoxy]ethanol
CID 28727939
2-(2-{[(Cyclohex-3-en-1-yl)methyl]amino}ethoxy)ethan-1-ol
CID 43183164
1-(2-Ethoxyethylamino)-3-[(6-methylcyclohex-3-en-1-yl)methoxy]propan-2-ol
CID 54937583
1-(1-Cyclopropylethylamino)-3-[(6-methylcyclohex-3-en-1-yl)methoxy]propan-2-ol
CID 54938609
1-[(6-Methylcyclohex-3-en-1-yl)methoxy]-3-[(2-methylcyclopropyl)amino]propan-2-ol
CID 55071332

Frequently Asked Questions

What is the IUPAC name of 2-[2-(ethylamino)-5-methylcyclohex-3-en-1-yl]oxyethanol?
The IUPAC name of 2-[2-(ethylamino)-5-methylcyclohex-3-en-1-yl]oxyethanol (CID 163973585) is 2-[2-(ethylamino)-5-methylcyclohex-3-en-1-yl]oxyethanol.
What is the SMILES notation for 2-[2-(ethylamino)-5-methylcyclohex-3-en-1-yl]oxyethanol?
The canonical SMILES for 2-[2-(ethylamino)-5-methylcyclohex-3-en-1-yl]oxyethanol is CCNC1C=CC(C)CC1OCCO.
What is the InChIKey of 2-[2-(ethylamino)-5-methylcyclohex-3-en-1-yl]oxyethanol?
The InChIKey is SSDKSISJHRERFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO2/c1-3-12-10-5-4-9(2)8-11(10)14-7-6-13/h4-5,9-13H,3,6-8H2,1-2H3.
What are the key properties of 2-[2-(ethylamino)-5-methylcyclohex-3-en-1-yl]oxyethanol?
2-[2-(ethylamino)-5-methylcyclohex-3-en-1-yl]oxyethanol has a molecular weight of 199.29 g/mol, XLogP of 0.94, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(ethylamino)-5-methylcyclohex-3-en-1-yl]oxyethanol is sourced from PubChem (CID 163973585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).