7,7-dimethyl-6-[[[1-(trifluoromethyl)cyclopropyl]amino]methyl]-2-oxabicyclo[3.2.0]heptan-6-amine

C13H21F3N2O — CID 106219226

IUPAC7,7-dimethyl-6-[[[1-(trifluoromethyl)cyclopropyl]amino]methyl]-2-oxabicyclo[3.2.0]heptan-6-amine
SMILESCC1(C)C2OCCC2C1(N)CNC1(C(F)(F)F)CC1
InChIInChI=1S/C13H21F3N2O/c1-10(2)9-8(3-6-19-9)12(10,17)7-18-11(4-5-11)13(14,15)16/h8-9,18H,3-7,17H2,1-2H3
InChIKeyVYPSMJUSQMKVRY-UHFFFAOYSA-N
MW278.32 g/mol
LogP1.81
Rot. Bonds3

About 7,7-dimethyl-6-[[[1-(trifluoromethyl)cyclopropyl]amino]methyl]-2-oxabicyclo[3.2.0]heptan-6-amine

7,7-dimethyl-6-[[[1-(trifluoromethyl)cyclopropyl]amino]methyl]-2-oxabicyclo[3.2.0]heptan-6-amine (PubChem CID 106219226) has the molecular formula C13H21F3N2O and a molecular weight of 278.32 g/mol. Its IUPAC name is 7,7-dimethyl-6-[[[1-(trifluoromethyl)cyclopropyl]amino]methyl]-2-oxabicyclo[3.2.0]heptan-6-amine.

Molecular Properties

Compound Name7,7-dimethyl-6-[[[1-(trifluoromethyl)cyclopropyl]amino]methyl]-2-oxabicyclo[3.2.0]heptan-6-amine
PubChem CID106219226
Molecular FormulaC13H21F3N2O
Molecular Weight278.32 g/mol
Exact Mass278.16
IUPAC Name7,7-dimethyl-6-[[[1-(trifluoromethyl)cyclopropyl]amino]methyl]-2-oxabicyclo[3.2.0]heptan-6-amine
SMILESCC1(C)C2OCCC2C1(N)CNC1(C(F)(F)F)CC1
InChIInChI=1S/C13H21F3N2O/c1-10(2)9-8(3-6-19-9)12(10,17)7-18-11(4-5-11)13(14,15)16/h8-9,18H,3-7,17H2,1-2H3
InChIKeyVYPSMJUSQMKVRY-UHFFFAOYSA-N
XLogP1.81
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.32
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 7,7-dimethyl-6-[[[1-(trifluoromethyl)cyclopropyl]amino]methyl]-2-oxabicyclo[3.2.0]heptan-6-amine with MolForge

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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-N-[1-(trifluoromethyl)cyclopropyl]-2-oxabicyclo[3.2.0]heptan-6-amine
CID 106210420
8,8-Dimethyl-7-[[[1-(trifluoromethyl)cyclopropyl]amino]methyl]-2-oxabicyclo[4.2.0]octan-7-amine
CID 106219148
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

Frequently Asked Questions

What is the IUPAC name of 7,7-dimethyl-6-[[[1-(trifluoromethyl)cyclopropyl]amino]methyl]-2-oxabicyclo[3.2.0]heptan-6-amine?
The IUPAC name of 7,7-dimethyl-6-[[[1-(trifluoromethyl)cyclopropyl]amino]methyl]-2-oxabicyclo[3.2.0]heptan-6-amine (CID 106219226) is 7,7-dimethyl-6-[[[1-(trifluoromethyl)cyclopropyl]amino]methyl]-2-oxabicyclo[3.2.0]heptan-6-amine.
What is the SMILES notation for 7,7-dimethyl-6-[[[1-(trifluoromethyl)cyclopropyl]amino]methyl]-2-oxabicyclo[3.2.0]heptan-6-amine?
The canonical SMILES for 7,7-dimethyl-6-[[[1-(trifluoromethyl)cyclopropyl]amino]methyl]-2-oxabicyclo[3.2.0]heptan-6-amine is CC1(C)C2OCCC2C1(N)CNC1(C(F)(F)F)CC1.
What is the InChIKey of 7,7-dimethyl-6-[[[1-(trifluoromethyl)cyclopropyl]amino]methyl]-2-oxabicyclo[3.2.0]heptan-6-amine?
The InChIKey is VYPSMJUSQMKVRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21F3N2O/c1-10(2)9-8(3-6-19-9)12(10,17)7-18-11(4-5-11)13(14,15)16/h8-9,18H,3-7,17H2,1-2H3.
What are the key properties of 7,7-dimethyl-6-[[[1-(trifluoromethyl)cyclopropyl]amino]methyl]-2-oxabicyclo[3.2.0]heptan-6-amine?
7,7-dimethyl-6-[[[1-(trifluoromethyl)cyclopropyl]amino]methyl]-2-oxabicyclo[3.2.0]heptan-6-amine has a molecular weight of 278.32 g/mol, XLogP of 1.81, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethyl-6-[[[1-(trifluoromethyl)cyclopropyl]amino]methyl]-2-oxabicyclo[3.2.0]heptan-6-amine is sourced from PubChem (CID 106219226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).