N-[2-(2-methoxyethoxy)ethyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine

C13H25NO3 — CID 64865082

IUPACN-[2-(2-methoxyethoxy)ethyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine
SMILESCOCCOCCNC1C2CCOC2C1(C)C
InChIInChI=1S/C13H25NO3/c1-13(2)11(10-4-6-17-12(10)13)14-5-7-16-9-8-15-3/h10-12,14H,4-9H2,1-3H3
InChIKeyRTUGJIRKLDHTDO-UHFFFAOYSA-N
MW243.35 g/mol
LogP1.05
Rot. Bonds7

About N-[2-(2-methoxyethoxy)ethyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine

N-[2-(2-methoxyethoxy)ethyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine (PubChem CID 64865082) has the molecular formula C13H25NO3 and a molecular weight of 243.35 g/mol. Its IUPAC name is N-[2-(2-methoxyethoxy)ethyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine.

Molecular Properties

Compound NameN-[2-(2-methoxyethoxy)ethyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine
PubChem CID64865082
Molecular FormulaC13H25NO3
Molecular Weight243.35 g/mol
Exact Mass243.18
IUPAC NameN-[2-(2-methoxyethoxy)ethyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine
SMILESCOCCOCCNC1C2CCOC2C1(C)C
InChIInChI=1S/C13H25NO3/c1-13(2)11(10-4-6-17-12(10)13)14-5-7-16-9-8-15-3/h10-12,14H,4-9H2,1-3H3
InChIKeyRTUGJIRKLDHTDO-UHFFFAOYSA-N
XLogP1.05
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 51.05
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]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine?
The IUPAC name of N-[2-(2-methoxyethoxy)ethyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine (CID 64865082) is N-[2-(2-methoxyethoxy)ethyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine.
What is the SMILES notation for N-[2-(2-methoxyethoxy)ethyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine?
The canonical SMILES for N-[2-(2-methoxyethoxy)ethyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine is COCCOCCNC1C2CCOC2C1(C)C.
What is the InChIKey of N-[2-(2-methoxyethoxy)ethyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine?
The InChIKey is RTUGJIRKLDHTDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO3/c1-13(2)11(10-4-6-17-12(10)13)14-5-7-16-9-8-15-3/h10-12,14H,4-9H2,1-3H3.
What are the key properties of N-[2-(2-methoxyethoxy)ethyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine?
N-[2-(2-methoxyethoxy)ethyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine has a molecular weight of 243.35 g/mol, XLogP of 1.05, 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]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine is sourced from PubChem (CID 64865082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).