3,3,3-trifluoro-N-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)propan-1-amine

C14H24F3NO — CID 79915498

IUPAC3,3,3-trifluoro-N-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)propan-1-amine
SMILESCNC(CC(F)(F)F)C1CCOC2(CCCCC2)C1
InChIInChI=1S/C14H24F3NO/c1-18-12(10-14(15,16)17)11-5-8-19-13(9-11)6-3-2-4-7-13/h11-12,18H,2-10H2,1H3
InChIKeyDYLCSYRIVCFPMD-UHFFFAOYSA-N
MW279.35 g/mol
LogP3.66
Rot. Bonds3

About 3,3,3-trifluoro-N-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)propan-1-amine

3,3,3-trifluoro-N-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)propan-1-amine (PubChem CID 79915498) has the molecular formula C14H24F3NO and a molecular weight of 279.35 g/mol. Its IUPAC name is 3,3,3-trifluoro-N-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)propan-1-amine.

Molecular Properties

Compound Name3,3,3-trifluoro-N-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)propan-1-amine
PubChem CID79915498
Molecular FormulaC14H24F3NO
Molecular Weight279.35 g/mol
Exact Mass279.18
IUPAC Name3,3,3-trifluoro-N-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)propan-1-amine
SMILESCNC(CC(F)(F)F)C1CCOC2(CCCCC2)C1
InChIInChI=1S/C14H24F3NO/c1-18-12(10-14(15,16)17)11-5-8-19-13(9-11)6-3-2-4-7-13/h11-12,18H,2-10H2,1H3
InChIKeyDYLCSYRIVCFPMD-UHFFFAOYSA-N
XLogP3.66
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.35
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3,3,3-trifluoro-N-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)propan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)propan-1-amine?
The IUPAC name of 3,3,3-trifluoro-N-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)propan-1-amine (CID 79915498) is 3,3,3-trifluoro-N-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)propan-1-amine.
What is the SMILES notation for 3,3,3-trifluoro-N-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)propan-1-amine?
The canonical SMILES for 3,3,3-trifluoro-N-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)propan-1-amine is CNC(CC(F)(F)F)C1CCOC2(CCCCC2)C1.
What is the InChIKey of 3,3,3-trifluoro-N-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)propan-1-amine?
The InChIKey is DYLCSYRIVCFPMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24F3NO/c1-18-12(10-14(15,16)17)11-5-8-19-13(9-11)6-3-2-4-7-13/h11-12,18H,2-10H2,1H3.
What are the key properties of 3,3,3-trifluoro-N-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)propan-1-amine?
3,3,3-trifluoro-N-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)propan-1-amine has a molecular weight of 279.35 g/mol, XLogP of 3.66, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-N-methyl-1-(1-oxaspiro[5.5]undecan-4-yl)propan-1-amine is sourced from PubChem (CID 79915498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).