7,7-dimethyl-6-[(5,5,5-trifluoropentylamino)methyl]-2-oxabicyclo[3.2.0]heptan-6-amine

C14H25F3N2O — CID 114948246

IUPAC7,7-dimethyl-6-[(5,5,5-trifluoropentylamino)methyl]-2-oxabicyclo[3.2.0]heptan-6-amine
SMILESCC1(C)C2OCCC2C1(N)CNCCCCC(F)(F)F
InChIInChI=1S/C14H25F3N2O/c1-12(2)11-10(5-8-20-11)13(12,18)9-19-7-4-3-6-14(15,16)17/h10-11,19H,3-9,18H2,1-2H3
InChIKeyZOZNUYUUGGQKMT-UHFFFAOYSA-N
MW294.36 g/mol
LogP2.45
Rot. Bonds6

About 7,7-dimethyl-6-[(5,5,5-trifluoropentylamino)methyl]-2-oxabicyclo[3.2.0]heptan-6-amine

7,7-dimethyl-6-[(5,5,5-trifluoropentylamino)methyl]-2-oxabicyclo[3.2.0]heptan-6-amine (PubChem CID 114948246) has the molecular formula C14H25F3N2O and a molecular weight of 294.36 g/mol. Its IUPAC name is 7,7-dimethyl-6-[(5,5,5-trifluoropentylamino)methyl]-2-oxabicyclo[3.2.0]heptan-6-amine.

Molecular Properties

Compound Name7,7-dimethyl-6-[(5,5,5-trifluoropentylamino)methyl]-2-oxabicyclo[3.2.0]heptan-6-amine
PubChem CID114948246
Molecular FormulaC14H25F3N2O
Molecular Weight294.36 g/mol
Exact Mass294.19
IUPAC Name7,7-dimethyl-6-[(5,5,5-trifluoropentylamino)methyl]-2-oxabicyclo[3.2.0]heptan-6-amine
SMILESCC1(C)C2OCCC2C1(N)CNCCCCC(F)(F)F
InChIInChI=1S/C14H25F3N2O/c1-12(2)11-10(5-8-20-11)13(12,18)9-19-7-4-3-6-14(15,16)17/h10-11,19H,3-9,18H2,1-2H3
InChIKeyZOZNUYUUGGQKMT-UHFFFAOYSA-N
XLogP2.45
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 7,7-dimethyl-6-[(5,5,5-trifluoropentylamino)methyl]-2-oxabicyclo[3.2.0]heptan-6-amine with MolForge

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Related Compounds

7,7-dimethyl-N-(3,3,3-trifluoropropyl)-2-oxabicyclo[3.2.0]heptan-6-amine
CID 64864113
7,7-dimethyl-N-(2,2,2-trifluoroethyl)-2-oxabicyclo[3.2.0]heptan-6-amine
CID 64872029
7,7-dimethyl-N-(4,4,4-trifluorobutan-2-yl)-2-oxabicyclo[3.2.0]heptan-6-amine
CID 103785787
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
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
7,7-dimethyl-N-(4,4,4-trifluorobutyl)-2-oxabicyclo[3.2.0]heptan-6-amine
CID 113326974
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

Frequently Asked Questions

What is the IUPAC name of 7,7-dimethyl-6-[(5,5,5-trifluoropentylamino)methyl]-2-oxabicyclo[3.2.0]heptan-6-amine?
The IUPAC name of 7,7-dimethyl-6-[(5,5,5-trifluoropentylamino)methyl]-2-oxabicyclo[3.2.0]heptan-6-amine (CID 114948246) is 7,7-dimethyl-6-[(5,5,5-trifluoropentylamino)methyl]-2-oxabicyclo[3.2.0]heptan-6-amine.
What is the SMILES notation for 7,7-dimethyl-6-[(5,5,5-trifluoropentylamino)methyl]-2-oxabicyclo[3.2.0]heptan-6-amine?
The canonical SMILES for 7,7-dimethyl-6-[(5,5,5-trifluoropentylamino)methyl]-2-oxabicyclo[3.2.0]heptan-6-amine is CC1(C)C2OCCC2C1(N)CNCCCCC(F)(F)F.
What is the InChIKey of 7,7-dimethyl-6-[(5,5,5-trifluoropentylamino)methyl]-2-oxabicyclo[3.2.0]heptan-6-amine?
The InChIKey is ZOZNUYUUGGQKMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25F3N2O/c1-12(2)11-10(5-8-20-11)13(12,18)9-19-7-4-3-6-14(15,16)17/h10-11,19H,3-9,18H2,1-2H3.
What are the key properties of 7,7-dimethyl-6-[(5,5,5-trifluoropentylamino)methyl]-2-oxabicyclo[3.2.0]heptan-6-amine?
7,7-dimethyl-6-[(5,5,5-trifluoropentylamino)methyl]-2-oxabicyclo[3.2.0]heptan-6-amine has a molecular weight of 294.36 g/mol, XLogP of 2.45, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethyl-6-[(5,5,5-trifluoropentylamino)methyl]-2-oxabicyclo[3.2.0]heptan-6-amine is sourced from PubChem (CID 114948246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).