6-(diethylaminomethyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine

C13H26N2O — CID 114947080

IUPAC6-(diethylaminomethyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine
SMILESCCN(CC)CC1(N)C2CCOC2C1(C)C
InChIInChI=1S/C13H26N2O/c1-5-15(6-2)9-13(14)10-7-8-16-11(10)12(13,3)4/h10-11H,5-9,14H2,1-4H3
InChIKeyHJIYHYFFMJXVSA-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.47
Rot. Bonds4

About 6-(diethylaminomethyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine

6-(diethylaminomethyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine (PubChem CID 114947080) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 6-(diethylaminomethyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine.

Molecular Properties

Compound Name6-(diethylaminomethyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine
PubChem CID114947080
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name6-(diethylaminomethyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine
SMILESCCN(CC)CC1(N)C2CCOC2C1(C)C
InChIInChI=1S/C13H26N2O/c1-5-15(6-2)9-13(14)10-7-8-16-11(10)12(13,3)4/h10-11H,5-9,14H2,1-4H3
InChIKeyHJIYHYFFMJXVSA-UHFFFAOYSA-N
XLogP1.47
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7,7-Dimethyl-6-[(4,4,4-trifluorobutan-2-ylamino)methyl]-2-oxabicyclo[3.2.0]heptan-6-amine
CID 105946052
7,7-Dimethyl-6-[[[1-(trifluoromethyl)cyclopropyl]amino]methyl]-2-oxabicyclo[3.2.0]heptan-6-amine
CID 106219226
7,7-Dimethyl-6-[(2,2,3,3-tetrafluoropropylamino)methyl]-2-oxabicyclo[3.2.0]heptan-6-amine
CID 106293673
6-[[2,2-Difluoroethyl(methyl)amino]methyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine
CID 113654471
7,7-Dimethyl-6-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-2-oxabicyclo[3.2.0]heptan-6-amine
CID 114947346
7,7-Dimethyl-6-[(2,2,2-trifluoroethylamino)methyl]-2-oxabicyclo[3.2.0]heptan-6-amine
CID 114947442
6-[[Ethyl(2,2,2-trifluoroethyl)amino]methyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine
CID 114947718
6-[[Cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine
CID 114947731
7,7-Dimethyl-6-[[propyl(2,2,2-trifluoroethyl)amino]methyl]-2-oxabicyclo[3.2.0]heptan-6-amine
CID 114947734
7,7-Dimethyl-6-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]-2-oxabicyclo[3.2.0]heptan-6-amine
CID 114947738
7,7-Dimethyl-6-[(3,3,3-trifluoropropylamino)methyl]-2-oxabicyclo[3.2.0]heptan-6-amine
CID 114947957
7,7-Dimethyl-6-[[methyl(3,3,3-trifluoropropyl)amino]methyl]-2-oxabicyclo[3.2.0]heptan-6-amine
CID 114948112

Frequently Asked Questions

What is the IUPAC name of 6-(diethylaminomethyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine?
The IUPAC name of 6-(diethylaminomethyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine (CID 114947080) is 6-(diethylaminomethyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine.
What is the SMILES notation for 6-(diethylaminomethyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine?
The canonical SMILES for 6-(diethylaminomethyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine is CCN(CC)CC1(N)C2CCOC2C1(C)C.
What is the InChIKey of 6-(diethylaminomethyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine?
The InChIKey is HJIYHYFFMJXVSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-5-15(6-2)9-13(14)10-7-8-16-11(10)12(13,3)4/h10-11H,5-9,14H2,1-4H3.
What are the key properties of 6-(diethylaminomethyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine?
6-(diethylaminomethyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine has a molecular weight of 226.36 g/mol, XLogP of 1.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(diethylaminomethyl)-7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-amine is sourced from PubChem (CID 114947080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).