1-(3,4-dimethylcyclohexen-1-yl)-1-(methylamino)ethanol

C11H21NO — CID 123955518

IUPAC1-(3,4-dimethylcyclohexen-1-yl)-1-(methylamino)ethanol
SMILESCNC(C)(O)C1=CC(C)C(C)CC1
InChIInChI=1S/C11H21NO/c1-8-5-6-10(7-9(8)2)11(3,13)12-4/h7-9,12-13H,5-6H2,1-4H3
InChIKeyISZQVTQMDPOFNV-UHFFFAOYSA-N
MW183.29 g/mol
LogP1.91
Rot. Bonds2

About 1-(3,4-dimethylcyclohexen-1-yl)-1-(methylamino)ethanol

1-(3,4-dimethylcyclohexen-1-yl)-1-(methylamino)ethanol (PubChem CID 123955518) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 1-(3,4-dimethylcyclohexen-1-yl)-1-(methylamino)ethanol.

Molecular Properties

Compound Name1-(3,4-dimethylcyclohexen-1-yl)-1-(methylamino)ethanol
PubChem CID123955518
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name1-(3,4-dimethylcyclohexen-1-yl)-1-(methylamino)ethanol
SMILESCNC(C)(O)C1=CC(C)C(C)CC1
InChIInChI=1S/C11H21NO/c1-8-5-6-10(7-9(8)2)11(3,13)12-4/h7-9,12-13H,5-6H2,1-4H3
InChIKeyISZQVTQMDPOFNV-UHFFFAOYSA-N
XLogP1.91
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-(5-Methyl-1,2,3,6-tetrahydropyridin-3-yl)cyclohexen-1-ol
CID 118548966
Methylamino-[7-methyl-4-(methylamino)cyclohepten-1-yl]methanol
CID 163418184
3-Butan-2-yl-3-(methylamino)cyclohepten-1-ol
CID 166919277
4-(Cycloocten-1-yl)-3-methylpiperidin-4-ol
CID 106651644
4-(Cyclohexen-1-yl)-3-methylpiperidin-4-ol
CID 106651645
4-(Cyclohepten-1-yl)-3-methylpiperidin-4-ol
CID 106651646
4-(Cyclohexen-1-yl)-3-ethylpiperidin-4-ol
CID 106651647
4-(Cyclohepten-1-yl)-3-ethylpiperidin-4-ol
CID 106651648
2-(Cyclohexen-1-yl)-4-(methylamino)butan-2-ol
CID 106654906
2-(Cyclohexen-1-yl)-4-(ethylamino)butan-2-ol
CID 106654909
2-(Cyclohexen-1-yl)-4-(propylamino)butan-2-ol
CID 106654912
2-(Cyclohexen-1-yl)-4-(propan-2-ylamino)butan-2-ol
CID 106654915

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylcyclohexen-1-yl)-1-(methylamino)ethanol?
The IUPAC name of 1-(3,4-dimethylcyclohexen-1-yl)-1-(methylamino)ethanol (CID 123955518) is 1-(3,4-dimethylcyclohexen-1-yl)-1-(methylamino)ethanol.
What is the SMILES notation for 1-(3,4-dimethylcyclohexen-1-yl)-1-(methylamino)ethanol?
The canonical SMILES for 1-(3,4-dimethylcyclohexen-1-yl)-1-(methylamino)ethanol is CNC(C)(O)C1=CC(C)C(C)CC1.
What is the InChIKey of 1-(3,4-dimethylcyclohexen-1-yl)-1-(methylamino)ethanol?
The InChIKey is ISZQVTQMDPOFNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-8-5-6-10(7-9(8)2)11(3,13)12-4/h7-9,12-13H,5-6H2,1-4H3.
What are the key properties of 1-(3,4-dimethylcyclohexen-1-yl)-1-(methylamino)ethanol?
1-(3,4-dimethylcyclohexen-1-yl)-1-(methylamino)ethanol has a molecular weight of 183.29 g/mol, XLogP of 1.91, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylcyclohexen-1-yl)-1-(methylamino)ethanol is sourced from PubChem (CID 123955518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).