N-[2-(2-methoxyethoxy)ethyl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine

C14H27NO3 — CID 64864210

IUPACN-[2-(2-methoxyethoxy)ethyl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine
SMILESCOCCOCCNC1C2CCCOC2C1(C)C
InChIInChI=1S/C14H27NO3/c1-14(2)12(11-5-4-7-18-13(11)14)15-6-8-17-10-9-16-3/h11-13,15H,4-10H2,1-3H3
InChIKeyIQEZIXPFIPKUPT-UHFFFAOYSA-N
MW257.37 g/mol
LogP1.44
Rot. Bonds7

About N-[2-(2-methoxyethoxy)ethyl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine

N-[2-(2-methoxyethoxy)ethyl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine (PubChem CID 64864210) has the molecular formula C14H27NO3 and a molecular weight of 257.37 g/mol. Its IUPAC name is N-[2-(2-methoxyethoxy)ethyl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine.

Molecular Properties

Compound NameN-[2-(2-methoxyethoxy)ethyl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine
PubChem CID64864210
Molecular FormulaC14H27NO3
Molecular Weight257.37 g/mol
Exact Mass257.20
IUPAC NameN-[2-(2-methoxyethoxy)ethyl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine
SMILESCOCCOCCNC1C2CCCOC2C1(C)C
InChIInChI=1S/C14H27NO3/c1-14(2)12(11-5-4-7-18-13(11)14)15-6-8-17-10-9-16-3/h11-13,15H,4-10H2,1-3H3
InChIKeyIQEZIXPFIPKUPT-UHFFFAOYSA-N
XLogP1.44
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.37
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyethoxy)ethyl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine?
The IUPAC name of N-[2-(2-methoxyethoxy)ethyl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine (CID 64864210) is N-[2-(2-methoxyethoxy)ethyl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine.
What is the SMILES notation for N-[2-(2-methoxyethoxy)ethyl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine?
The canonical SMILES for N-[2-(2-methoxyethoxy)ethyl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine is COCCOCCNC1C2CCCOC2C1(C)C.
What is the InChIKey of N-[2-(2-methoxyethoxy)ethyl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine?
The InChIKey is IQEZIXPFIPKUPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO3/c1-14(2)12(11-5-4-7-18-13(11)14)15-6-8-17-10-9-16-3/h11-13,15H,4-10H2,1-3H3.
What are the key properties of N-[2-(2-methoxyethoxy)ethyl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine?
N-[2-(2-methoxyethoxy)ethyl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine has a molecular weight of 257.37 g/mol, XLogP of 1.44, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyethoxy)ethyl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine is sourced from PubChem (CID 64864210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).