2-(3,5-dimethylcyclohex-3-en-1-yl)-2-(methylamino)ethanol

C11H21NO — CID 103277761

IUPAC2-(3,5-dimethylcyclohex-3-en-1-yl)-2-(methylamino)ethanol
SMILESCNC(CO)C1CC(C)=CC(C)C1
InChIInChI=1S/C11H21NO/c1-8-4-9(2)6-10(5-8)11(7-13)12-3/h4,8,10-13H,5-7H2,1-3H3
InChIKeyQUBGBWWJWZOFIK-UHFFFAOYSA-N
MW183.29 g/mol
LogP1.56
Rot. Bonds3

About 2-(3,5-dimethylcyclohex-3-en-1-yl)-2-(methylamino)ethanol

2-(3,5-dimethylcyclohex-3-en-1-yl)-2-(methylamino)ethanol (PubChem CID 103277761) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 2-(3,5-dimethylcyclohex-3-en-1-yl)-2-(methylamino)ethanol.

Molecular Properties

Compound Name2-(3,5-dimethylcyclohex-3-en-1-yl)-2-(methylamino)ethanol
PubChem CID103277761
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name2-(3,5-dimethylcyclohex-3-en-1-yl)-2-(methylamino)ethanol
SMILESCNC(CO)C1CC(C)=CC(C)C1
InChIInChI=1S/C11H21NO/c1-8-4-9(2)6-10(5-8)11(7-13)12-3/h4,8,10-13H,5-7H2,1-3H3
InChIKeyQUBGBWWJWZOFIK-UHFFFAOYSA-N
XLogP1.56
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
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

2-[3-[(1R)-4-methylcyclohex-3-en-1-yl]butylamino]ethanol
CID 46193852
2-(Cyclohex-3-en-1-ylmethylamino)-2-methylpentan-1-ol
CID 75387507
(2S)-3-(4-fluorocyclohexa-2,4-dien-1-yl)-2-(methylamino)propan-1-ol
CID 70320951
2-(3,5-Dimethylcyclohex-3-en-1-yl)-2-(2,2,2-trifluoroethylamino)ethanol
CID 113797566
3,7-Dimethyl-2-(propylamino)oct-6-ene-1,3-diol
CID 19928727
2-[(5,6-Diethylcyclohex-3-en-1-yl)amino]ethanol
CID 53678619
2-(3,7-Dimethyloct-6-enylamino)-2-methylpropan-1-ol
CID 54502459
[(2S,4S)-4-cyclohex-2-en-1-ylpyrrolidin-2-yl]methanol
CID 56618141
1-[[(3R)-2,4-dimethylpent-1-en-3-yl]amino]-2-(4-ethylcyclohexen-1-yl)ethanol
CID 68097861
2-(2-Cyclohex-2-en-1-ylethylamino)-5-methylhexan-1-ol
CID 69309809
[(2S)-4-cyclohex-2-en-1-ylpyrrolidin-2-yl]methanol
CID 70072919
(1R)-1-[(1R)-cyclohex-2-en-1-yl]-2-(4-methylpentylamino)propan-1-ol
CID 70227186

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylcyclohex-3-en-1-yl)-2-(methylamino)ethanol?
The IUPAC name of 2-(3,5-dimethylcyclohex-3-en-1-yl)-2-(methylamino)ethanol (CID 103277761) is 2-(3,5-dimethylcyclohex-3-en-1-yl)-2-(methylamino)ethanol.
What is the SMILES notation for 2-(3,5-dimethylcyclohex-3-en-1-yl)-2-(methylamino)ethanol?
The canonical SMILES for 2-(3,5-dimethylcyclohex-3-en-1-yl)-2-(methylamino)ethanol is CNC(CO)C1CC(C)=CC(C)C1.
What is the InChIKey of 2-(3,5-dimethylcyclohex-3-en-1-yl)-2-(methylamino)ethanol?
The InChIKey is QUBGBWWJWZOFIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-8-4-9(2)6-10(5-8)11(7-13)12-3/h4,8,10-13H,5-7H2,1-3H3.
What are the key properties of 2-(3,5-dimethylcyclohex-3-en-1-yl)-2-(methylamino)ethanol?
2-(3,5-dimethylcyclohex-3-en-1-yl)-2-(methylamino)ethanol has a molecular weight of 183.29 g/mol, XLogP of 1.56, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylcyclohex-3-en-1-yl)-2-(methylamino)ethanol is sourced from PubChem (CID 103277761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).