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

C12H23NO2 — CID 64864757

IUPACN-(2-methoxyethyl)-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine
SMILESCOCCNC1C2CCCOC2C1(C)C
InChIInChI=1S/C12H23NO2/c1-12(2)10(13-6-8-14-3)9-5-4-7-15-11(9)12/h9-11,13H,4-8H2,1-3H3
InChIKeyZFQKLVASILFFAX-UHFFFAOYSA-N
MW213.32 g/mol
LogP1.43
Rot. Bonds4

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

N-(2-methoxyethyl)-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine (PubChem CID 64864757) has the molecular formula C12H23NO2 and a molecular weight of 213.32 g/mol. Its IUPAC name is N-(2-methoxyethyl)-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine
PubChem CID64864757
Molecular FormulaC12H23NO2
Molecular Weight213.32 g/mol
Exact Mass213.17
IUPAC NameN-(2-methoxyethyl)-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine
SMILESCOCCNC1C2CCCOC2C1(C)C
InChIInChI=1S/C12H23NO2/c1-12(2)10(13-6-8-14-3)9-5-4-7-15-11(9)12/h9-11,13H,4-8H2,1-3H3
InChIKeyZFQKLVASILFFAX-UHFFFAOYSA-N
XLogP1.43
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.32
LogP ≤ 51.43
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

8,8-Dimethyl-2-oxabicyclo(4.2.0)octan-7-amine
CID 54595224
8,8-dimethyl-N-[2-(3-methylmorpholin-4-yl)propyl]-2-oxabicyclo[4.2.0]octan-7-amine
CID 75516169
8,8-dimethyl-N-(3,3,3-trifluoropropyl)-2-oxabicyclo[4.2.0]octan-7-amine
CID 64862669
8,8-dimethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]-2-oxabicyclo[4.2.0]octan-7-amine
CID 64863068
8,8-dimethyl-N-(2,2,2-trifluoroethyl)-2-oxabicyclo[4.2.0]octan-7-amine
CID 64863978
8,8-dimethyl-N-(4,4,4-trifluorobutan-2-yl)-2-oxabicyclo[4.2.0]octan-7-amine
CID 103786171
3-[(8,8-Dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)amino]-1,1,1-trifluoropropan-2-ol
CID 103921050
8,8-dimethyl-N-[1-(trifluoromethyl)cyclopropyl]-2-oxabicyclo[4.2.0]octan-7-amine
CID 106209926
8,8-dimethyl-N-(4,4,4-trifluorobutyl)-2-oxabicyclo[4.2.0]octan-7-amine
CID 113326956
3-[(8,8-Dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)amino]-1,1-difluoropropan-2-ol
CID 113352181
3-[(8,8-Dimethyl-2-oxabicyclo[4.2.0]octan-7-yl)amino]-2,2-difluoropropan-1-ol
CID 113463343
N-[2-(2,2-difluoroethoxy)ethyl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine
CID 113773167

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine?
The IUPAC name of N-(2-methoxyethyl)-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine (CID 64864757) is N-(2-methoxyethyl)-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine.
What is the SMILES notation for N-(2-methoxyethyl)-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine?
The canonical SMILES for N-(2-methoxyethyl)-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine is COCCNC1C2CCCOC2C1(C)C.
What is the InChIKey of N-(2-methoxyethyl)-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine?
The InChIKey is ZFQKLVASILFFAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO2/c1-12(2)10(13-6-8-14-3)9-5-4-7-15-11(9)12/h9-11,13H,4-8H2,1-3H3.
What are the key properties of N-(2-methoxyethyl)-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine?
N-(2-methoxyethyl)-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine has a molecular weight of 213.32 g/mol, XLogP of 1.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine is sourced from PubChem (CID 64864757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).