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

C14H27NO2 — CID 113352197

IUPACN-(2-methoxy-2-methylpropyl)-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine
SMILESCOC(C)(C)CNC1C2CCCOC2C1(C)C
InChIInChI=1S/C14H27NO2/c1-13(2,16-5)9-15-11-10-7-6-8-17-12(10)14(11,3)4/h10-12,15H,6-9H2,1-5H3
InChIKeyVMMIASKHBLAKLR-UHFFFAOYSA-N
MW241.37 g/mol
LogP2.20
Rot. Bonds4

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

N-(2-methoxy-2-methylpropyl)-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine (PubChem CID 113352197) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is N-(2-methoxy-2-methylpropyl)-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine.

Molecular Properties

Compound NameN-(2-methoxy-2-methylpropyl)-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine
PubChem CID113352197
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC NameN-(2-methoxy-2-methylpropyl)-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine
SMILESCOC(C)(C)CNC1C2CCCOC2C1(C)C
InChIInChI=1S/C14H27NO2/c1-13(2,16-5)9-15-11-10-7-6-8-17-12(10)14(11,3)4/h10-12,15H,6-9H2,1-5H3
InChIKeyVMMIASKHBLAKLR-UHFFFAOYSA-N
XLogP2.20
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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-(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
N-[2-(2,2-difluoroethoxy)ethyl]-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine
CID 113773167
8,8-dimethyl-N-(2,2,3,3-tetrafluoropropyl)-2-oxabicyclo[4.2.0]octan-7-amine
CID 114168995
N-(2,2-difluoroethyl)-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine
CID 115405846
8,8-dimethyl-N-(5,5,5-trifluoropentyl)-2-oxabicyclo[4.2.0]octan-7-amine
CID 115517263

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxy-2-methylpropyl)-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine?
The IUPAC name of N-(2-methoxy-2-methylpropyl)-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine (CID 113352197) is N-(2-methoxy-2-methylpropyl)-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine.
What is the SMILES notation for N-(2-methoxy-2-methylpropyl)-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine?
The canonical SMILES for N-(2-methoxy-2-methylpropyl)-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine is COC(C)(C)CNC1C2CCCOC2C1(C)C.
What is the InChIKey of N-(2-methoxy-2-methylpropyl)-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine?
The InChIKey is VMMIASKHBLAKLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-13(2,16-5)9-15-11-10-7-6-8-17-12(10)14(11,3)4/h10-12,15H,6-9H2,1-5H3.
What are the key properties of N-(2-methoxy-2-methylpropyl)-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine?
N-(2-methoxy-2-methylpropyl)-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine has a molecular weight of 241.37 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxy-2-methylpropyl)-8,8-dimethyl-2-oxabicyclo[4.2.0]octan-7-amine is sourced from PubChem (CID 113352197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).