N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)morpholin-4-amine

C12H22N2O2 — CID 83009711

IUPACN-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)morpholin-4-amine
SMILESCC1(C)C(NN2CCOCC2)C2CCOC21
InChIInChI=1S/C12H22N2O2/c1-12(2)10(9-3-6-16-11(9)12)13-14-4-7-15-8-5-14/h9-11,13H,3-8H2,1-2H3
InChIKeyHIWNUQCFLFHGMM-UHFFFAOYSA-N
MW226.32 g/mol
LogP0.64
Rot. Bonds2

About N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)morpholin-4-amine

N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)morpholin-4-amine (PubChem CID 83009711) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)morpholin-4-amine.

Molecular Properties

Compound NameN-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)morpholin-4-amine
PubChem CID83009711
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC NameN-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)morpholin-4-amine
SMILESCC1(C)C(NN2CCOCC2)C2CCOC21
InChIInChI=1S/C12H22N2O2/c1-12(2)10(9-3-6-16-11(9)12)13-14-4-7-15-8-5-14/h9-11,13H,3-8H2,1-2H3
InChIKeyHIWNUQCFLFHGMM-UHFFFAOYSA-N
XLogP0.64
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)morpholin-4-amine?
The IUPAC name of N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)morpholin-4-amine (CID 83009711) is N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)morpholin-4-amine.
What is the SMILES notation for N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)morpholin-4-amine?
The canonical SMILES for N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)morpholin-4-amine is CC1(C)C(NN2CCOCC2)C2CCOC21.
What is the InChIKey of N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)morpholin-4-amine?
The InChIKey is HIWNUQCFLFHGMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-12(2)10(9-3-6-16-11(9)12)13-14-4-7-15-8-5-14/h9-11,13H,3-8H2,1-2H3.
What are the key properties of N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)morpholin-4-amine?
N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)morpholin-4-amine has a molecular weight of 226.32 g/mol, XLogP of 0.64, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)morpholin-4-amine is sourced from PubChem (CID 83009711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).