N-ethyl-1-(oxolan-3-yl)-2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]ethanamine

C18H33NO2 — CID 104749625

IUPACN-ethyl-1-(oxolan-3-yl)-2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]ethanamine
SMILESCCNC(COC1CC2CCC1(C)C2(C)C)C1CCOC1
InChIInChI=1S/C18H33NO2/c1-5-19-15(13-7-9-20-11-13)12-21-16-10-14-6-8-18(16,4)17(14,2)3/h13-16,19H,5-12H2,1-4H3
InChIKeyQYLCQTSCGQBIII-UHFFFAOYSA-N
MW295.47 g/mol
LogP3.23
Rot. Bonds6

About N-ethyl-1-(oxolan-3-yl)-2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]ethanamine

N-ethyl-1-(oxolan-3-yl)-2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]ethanamine (PubChem CID 104749625) has the molecular formula C18H33NO2 and a molecular weight of 295.47 g/mol. Its IUPAC name is N-ethyl-1-(oxolan-3-yl)-2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]ethanamine.

Molecular Properties

Compound NameN-ethyl-1-(oxolan-3-yl)-2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]ethanamine
PubChem CID104749625
Molecular FormulaC18H33NO2
Molecular Weight295.47 g/mol
Exact Mass295.25
IUPAC NameN-ethyl-1-(oxolan-3-yl)-2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]ethanamine
SMILESCCNC(COC1CC2CCC1(C)C2(C)C)C1CCOC1
InChIInChI=1S/C18H33NO2/c1-5-19-15(13-7-9-20-11-13)12-21-16-10-14-6-8-18(16,4)17(14,2)3/h13-16,19H,5-12H2,1-4H3
InChIKeyQYLCQTSCGQBIII-UHFFFAOYSA-N
XLogP3.23
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.47
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-ethyl-1-(oxolan-3-yl)-2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]ethanamine with MolForge

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Related Compounds

1-cyclopentyl-N-methyl-2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]ethanamine
CID 104749629
1-cyclohexyl-N-methyl-2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]ethanamine
CID 104749622
N-ethyl-2-[2-(2-methylpropoxy)ethoxy]-1-(oxolan-3-yl)ethanamine
CID 106447324
N-ethyl-1-(oxolan-3-yl)-2-propoxyethanamine
CID 63564947
(1S,4R)-2-ethoxy-1,7,7-trimethylbicyclo[2.2.1]heptane
CID 174997448
(2S)-1-(propan-2-ylamino)-3-[[(1S,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]propan-2-ol
CID 124827410
1,7,7-trimethyl-N-[1-(oxolan-3-yl)ethyl]bicyclo[2.2.1]heptan-2-amine
CID 113259887
1-methoxy-3-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]propan-2-ol
CID 107508438
1-cyclopentyl-N-ethyl-2-(oxan-4-yloxy)ethanamine
CID 113448631
2-(2-cyclobutylethoxy)-N-ethyl-1-(oxolan-3-yl)ethanamine
CID 106201025
(2R)-1-(2-methylpropylamino)-3-[[(1S,2R,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]propan-2-ol
CID 124760996
4-methyl-4-[2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]ethyl]morpholin-4-ium
CID 3803696

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(oxolan-3-yl)-2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]ethanamine?
The IUPAC name of N-ethyl-1-(oxolan-3-yl)-2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]ethanamine (CID 104749625) is N-ethyl-1-(oxolan-3-yl)-2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]ethanamine.
What is the SMILES notation for N-ethyl-1-(oxolan-3-yl)-2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]ethanamine?
The canonical SMILES for N-ethyl-1-(oxolan-3-yl)-2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]ethanamine is CCNC(COC1CC2CCC1(C)C2(C)C)C1CCOC1.
What is the InChIKey of N-ethyl-1-(oxolan-3-yl)-2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]ethanamine?
The InChIKey is QYLCQTSCGQBIII-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33NO2/c1-5-19-15(13-7-9-20-11-13)12-21-16-10-14-6-8-18(16,4)17(14,2)3/h13-16,19H,5-12H2,1-4H3.
What are the key properties of N-ethyl-1-(oxolan-3-yl)-2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]ethanamine?
N-ethyl-1-(oxolan-3-yl)-2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]ethanamine has a molecular weight of 295.47 g/mol, XLogP of 3.23, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(oxolan-3-yl)-2-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]ethanamine is sourced from PubChem (CID 104749625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).