1-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-2-(2-methoxyethoxy)ethanamine

C14H27NO2 — CID 114246670

IUPAC1-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-2-(2-methoxyethoxy)ethanamine
SMILESCCNC(COCCOC)C1CC2CCC1C2
InChIInChI=1S/C14H27NO2/c1-3-15-14(10-17-7-6-16-2)13-9-11-4-5-12(13)8-11/h11-15H,3-10H2,1-2H3
InChIKeyVEUQFYAMRZVZDF-UHFFFAOYSA-N
MW241.37 g/mol
LogP2.06
Rot. Bonds8

About 1-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-2-(2-methoxyethoxy)ethanamine

1-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-2-(2-methoxyethoxy)ethanamine (PubChem CID 114246670) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is 1-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-2-(2-methoxyethoxy)ethanamine.

Molecular Properties

Compound Name1-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-2-(2-methoxyethoxy)ethanamine
PubChem CID114246670
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Name1-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-2-(2-methoxyethoxy)ethanamine
SMILESCCNC(COCCOC)C1CC2CCC1C2
InChIInChI=1S/C14H27NO2/c1-3-15-14(10-17-7-6-16-2)13-9-11-4-5-12(13)8-11/h11-15H,3-10H2,1-2H3
InChIKeyVEUQFYAMRZVZDF-UHFFFAOYSA-N
XLogP2.06
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-cyclohexyl-N-ethyl-2-(2-methoxyethoxy)ethanamine
CID 104748657
1-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-2-(4-methoxyphenyl)ethanamine
CID 61364944
1-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-2-(4-methylphenyl)ethanamine
CID 63527764
1-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-2-(3-methoxyphenyl)ethanamine
CID 61365344
1-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-3-methoxypropan-2-amine
CID 79563313
1-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-2-(2-fluorophenyl)ethanamine
CID 61365738
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-ethoxypropan-1-amine
CID 65176203
1-(2-bicyclo[2.2.1]heptanyl)-2-(2,3-dichlorophenyl)-N-ethylethanamine
CID 107309017
N-[1-cyclopropyl-2-[2-(2-methoxyethoxy)ethoxy]ethyl]propan-1-amine
CID 104560815
1-(2-bicyclo[2.2.1]heptanyl)-2-(3-chloro-4-fluorophenyl)-N-ethylethanamine
CID 103040435
N-[2-bicyclo[2.2.1]heptanyl-(4-methoxythiophen-2-yl)methyl]ethanamine
CID 114246866
1-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-3-(2-methylpyrazol-3-yl)propan-1-amine
CID 103012109

Frequently Asked Questions

What is the IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-2-(2-methoxyethoxy)ethanamine?
The IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-2-(2-methoxyethoxy)ethanamine (CID 114246670) is 1-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-2-(2-methoxyethoxy)ethanamine.
What is the SMILES notation for 1-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-2-(2-methoxyethoxy)ethanamine?
The canonical SMILES for 1-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-2-(2-methoxyethoxy)ethanamine is CCNC(COCCOC)C1CC2CCC1C2.
What is the InChIKey of 1-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-2-(2-methoxyethoxy)ethanamine?
The InChIKey is VEUQFYAMRZVZDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-3-15-14(10-17-7-6-16-2)13-9-11-4-5-12(13)8-11/h11-15H,3-10H2,1-2H3.
What are the key properties of 1-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-2-(2-methoxyethoxy)ethanamine?
1-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-2-(2-methoxyethoxy)ethanamine has a molecular weight of 241.37 g/mol, XLogP of 2.06, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bicyclo[2.2.1]heptanyl)-N-ethyl-2-(2-methoxyethoxy)ethanamine is sourced from PubChem (CID 114246670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).