2-ethoxy-N-ethyl-3-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]cyclobutan-1-amine

C18H33NO2 — CID 104676613

IUPAC2-ethoxy-N-ethyl-3-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]cyclobutan-1-amine
SMILESCCNC1CC(OC2CC3CCC2(C)C3(C)C)C1OCC
InChIInChI=1S/C18H33NO2/c1-6-19-13-11-14(16(13)20-7-2)21-15-10-12-8-9-18(15,5)17(12,3)4/h12-16,19H,6-11H2,1-5H3
InChIKeyKFKMJQVJMORMQY-UHFFFAOYSA-N
MW295.47 g/mol
LogP3.37
Rot. Bonds6

About 2-ethoxy-N-ethyl-3-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]cyclobutan-1-amine

2-ethoxy-N-ethyl-3-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]cyclobutan-1-amine (PubChem CID 104676613) has the molecular formula C18H33NO2 and a molecular weight of 295.47 g/mol. Its IUPAC name is 2-ethoxy-N-ethyl-3-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]cyclobutan-1-amine.

Molecular Properties

Compound Name2-ethoxy-N-ethyl-3-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]cyclobutan-1-amine
PubChem CID104676613
Molecular FormulaC18H33NO2
Molecular Weight295.47 g/mol
Exact Mass295.25
IUPAC Name2-ethoxy-N-ethyl-3-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]cyclobutan-1-amine
SMILESCCNC1CC(OC2CC3CCC2(C)C3(C)C)C1OCC
InChIInChI=1S/C18H33NO2/c1-6-19-13-11-14(16(13)20-7-2)21-15-10-12-8-9-18(15,5)17(12,3)4/h12-16,19H,6-11H2,1-5H3
InChIKeyKFKMJQVJMORMQY-UHFFFAOYSA-N
XLogP3.37
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 ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-ethoxy-N-ethyl-3-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]cyclobutan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1S,4R)-2-ethoxy-1,7,7-trimethylbicyclo[2.2.1]heptane
CID 174997448
(1S,2S,4S)-1,7,7-trimethyl-2-[[(1S,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]bicyclo[2.2.1]heptane
CID 101328279
3-cyclohexyloxy-2-ethoxy-N-ethylcyclobutan-1-amine
CID 113439990
(1S,2R,4S)-N-ethyl-1,7,7-trimethylbicyclo[2.2.1]heptan-2-amine
CID 101269305
(1S)-2-methoxy-1,7,7-trimethylbicyclo[2.2.1]heptane
CID 59093744
(1R,2R,4R)-2-methoxy-1,7,7-trimethylbicyclo[2.2.1]heptane
CID 12859587
2-[2,2-dimethyl-3-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]propoxy]-1,7,7-trimethylbicyclo[2.2.1]heptane
CID 57494932
2-ethoxy-N-ethyl-3-(4-methylpentan-2-yloxy)cyclobutan-1-amine
CID 104676190
[(1S,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] acetate
CID 66836214
[(1S,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl] acetate
CID 6950273
dimethyl-[2-[[(1S,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]ethyl]-[2-[[(1R,2S,4R)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]oxy]ethyl]azanium
CID 25276894
2-ethoxy-N-ethyl-3,5-dimethylcyclohexan-1-amine
CID 64751781

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-ethyl-3-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]cyclobutan-1-amine?
The IUPAC name of 2-ethoxy-N-ethyl-3-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]cyclobutan-1-amine (CID 104676613) is 2-ethoxy-N-ethyl-3-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]cyclobutan-1-amine.
What is the SMILES notation for 2-ethoxy-N-ethyl-3-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]cyclobutan-1-amine?
The canonical SMILES for 2-ethoxy-N-ethyl-3-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]cyclobutan-1-amine is CCNC1CC(OC2CC3CCC2(C)C3(C)C)C1OCC.
What is the InChIKey of 2-ethoxy-N-ethyl-3-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]cyclobutan-1-amine?
The InChIKey is KFKMJQVJMORMQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33NO2/c1-6-19-13-11-14(16(13)20-7-2)21-15-10-12-8-9-18(15,5)17(12,3)4/h12-16,19H,6-11H2,1-5H3.
What are the key properties of 2-ethoxy-N-ethyl-3-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]cyclobutan-1-amine?
2-ethoxy-N-ethyl-3-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]cyclobutan-1-amine has a molecular weight of 295.47 g/mol, XLogP of 3.37, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-N-ethyl-3-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)oxy]cyclobutan-1-amine is sourced from PubChem (CID 104676613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).