2-(2-bicyclo[2.2.1]heptanyl)-1-[1-(dimethylamino)cycloheptyl]ethanol

C18H33NO — CID 79558765

IUPAC2-(2-bicyclo[2.2.1]heptanyl)-1-[1-(dimethylamino)cycloheptyl]ethanol
SMILESCN(C)C1(C(O)CC2CC3CCC2C3)CCCCCC1
InChIInChI=1S/C18H33NO/c1-19(2)18(9-5-3-4-6-10-18)17(20)13-16-12-14-7-8-15(16)11-14/h14-17,20H,3-13H2,1-2H3
InChIKeyQBFVJOFEYSYAFT-UHFFFAOYSA-N
MW279.47 g/mol
LogP3.83
Rot. Bonds4

About 2-(2-bicyclo[2.2.1]heptanyl)-1-[1-(dimethylamino)cycloheptyl]ethanol

2-(2-bicyclo[2.2.1]heptanyl)-1-[1-(dimethylamino)cycloheptyl]ethanol (PubChem CID 79558765) has the molecular formula C18H33NO and a molecular weight of 279.47 g/mol. Its IUPAC name is 2-(2-bicyclo[2.2.1]heptanyl)-1-[1-(dimethylamino)cycloheptyl]ethanol.

Molecular Properties

Compound Name2-(2-bicyclo[2.2.1]heptanyl)-1-[1-(dimethylamino)cycloheptyl]ethanol
PubChem CID79558765
Molecular FormulaC18H33NO
Molecular Weight279.47 g/mol
Exact Mass279.26
IUPAC Name2-(2-bicyclo[2.2.1]heptanyl)-1-[1-(dimethylamino)cycloheptyl]ethanol
SMILESCN(C)C1(C(O)CC2CC3CCC2C3)CCCCCC1
InChIInChI=1S/C18H33NO/c1-19(2)18(9-5-3-4-6-10-18)17(20)13-16-12-14-7-8-15(16)11-14/h14-17,20H,3-13H2,1-2H3
InChIKeyQBFVJOFEYSYAFT-UHFFFAOYSA-N
XLogP3.83
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.47
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(2-bicyclo[2.2.1]heptanyl)-1-[1-(dimethylamino)cycloheptyl]ethanol with MolForge

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Related Compounds

1-[2-(2-bicyclo[2.2.1]heptanyl)-1-(methylamino)ethyl]-N,N-dimethylcyclohexan-1-amine
CID 79562721
2-(2-bicyclo[2.2.1]heptanyl)-1-[1-(2-methylpropyl)cyclopentyl]ethanol
CID 115821324
1-(2-bicyclo[2.2.1]heptanyl)-3-(dimethylamino)-3-methylbutan-2-ol
CID 79558432
2-(2-bicyclo[2.2.1]heptanyl)-1-cyclopropylethanol
CID 79557935
2-(2-bicyclo[2.2.1]heptanyl)-1-(2,4,5-trimethylphenyl)ethanol
CID 115807086
2-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-1-[1-(2-methylpropyl)cyclopentyl]ethanamine
CID 105012642
5-[2-bicyclo[2.2.1]heptanylmethyl(methyl)amino]-2,2-dimethylcyclopentan-1-ol
CID 79857271
1-(2-bicyclo[2.2.1]heptanyl)-4,4-dimethylpentan-2-ol
CID 79558057
2-(2-bicyclo[2.2.1]heptanyl)-1-(6-bicyclo[3.1.0]hexanyl)ethanol
CID 115821223
2-(2-bicyclo[2.2.1]heptanyl)-1-cyclobutylethanamine
CID 79562076
2-(2-bicyclo[2.2.1]heptanyl)-1-cyclopentylethanamine
CID 79559439
1-(2-bicyclo[2.2.1]heptanyl)-3-(diethylamino)-3-methylbutan-2-ol
CID 79558433

Frequently Asked Questions

What is the IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-1-[1-(dimethylamino)cycloheptyl]ethanol?
The IUPAC name of 2-(2-bicyclo[2.2.1]heptanyl)-1-[1-(dimethylamino)cycloheptyl]ethanol (CID 79558765) is 2-(2-bicyclo[2.2.1]heptanyl)-1-[1-(dimethylamino)cycloheptyl]ethanol.
What is the SMILES notation for 2-(2-bicyclo[2.2.1]heptanyl)-1-[1-(dimethylamino)cycloheptyl]ethanol?
The canonical SMILES for 2-(2-bicyclo[2.2.1]heptanyl)-1-[1-(dimethylamino)cycloheptyl]ethanol is CN(C)C1(C(O)CC2CC3CCC2C3)CCCCCC1.
What is the InChIKey of 2-(2-bicyclo[2.2.1]heptanyl)-1-[1-(dimethylamino)cycloheptyl]ethanol?
The InChIKey is QBFVJOFEYSYAFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33NO/c1-19(2)18(9-5-3-4-6-10-18)17(20)13-16-12-14-7-8-15(16)11-14/h14-17,20H,3-13H2,1-2H3.
What are the key properties of 2-(2-bicyclo[2.2.1]heptanyl)-1-[1-(dimethylamino)cycloheptyl]ethanol?
2-(2-bicyclo[2.2.1]heptanyl)-1-[1-(dimethylamino)cycloheptyl]ethanol has a molecular weight of 279.47 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bicyclo[2.2.1]heptanyl)-1-[1-(dimethylamino)cycloheptyl]ethanol is sourced from PubChem (CID 79558765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).