N-methyl-3-(4,4,4-trifluorobutoxy)spiro[3.5]nonan-1-amine

C14H24F3NO — CID 82794279

IUPACN-methyl-3-(4,4,4-trifluorobutoxy)spiro[3.5]nonan-1-amine
SMILESCNC1CC(OCCCC(F)(F)F)C12CCCCC2
InChIInChI=1S/C14H24F3NO/c1-18-11-10-12(13(11)6-3-2-4-7-13)19-9-5-8-14(15,16)17/h11-12,18H,2-10H2,1H3
InChIKeyKBNWUCGBOPPALW-UHFFFAOYSA-N
MW279.35 g/mol
LogP3.66
Rot. Bonds5

About N-methyl-3-(4,4,4-trifluorobutoxy)spiro[3.5]nonan-1-amine

N-methyl-3-(4,4,4-trifluorobutoxy)spiro[3.5]nonan-1-amine (PubChem CID 82794279) has the molecular formula C14H24F3NO and a molecular weight of 279.35 g/mol. Its IUPAC name is N-methyl-3-(4,4,4-trifluorobutoxy)spiro[3.5]nonan-1-amine.

Molecular Properties

Compound NameN-methyl-3-(4,4,4-trifluorobutoxy)spiro[3.5]nonan-1-amine
PubChem CID82794279
Molecular FormulaC14H24F3NO
Molecular Weight279.35 g/mol
Exact Mass279.18
IUPAC NameN-methyl-3-(4,4,4-trifluorobutoxy)spiro[3.5]nonan-1-amine
SMILESCNC1CC(OCCCC(F)(F)F)C12CCCCC2
InChIInChI=1S/C14H24F3NO/c1-18-11-10-12(13(11)6-3-2-4-7-13)19-9-5-8-14(15,16)17/h11-12,18H,2-10H2,1H3
InChIKeyKBNWUCGBOPPALW-UHFFFAOYSA-N
XLogP3.66
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
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

Computed Properties (RDKit)

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

Analyze N-methyl-3-(4,4,4-trifluorobutoxy)spiro[3.5]nonan-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 N-methyl-3-(4,4,4-trifluorobutoxy)spiro[3.5]nonan-1-amine?
The IUPAC name of N-methyl-3-(4,4,4-trifluorobutoxy)spiro[3.5]nonan-1-amine (CID 82794279) is N-methyl-3-(4,4,4-trifluorobutoxy)spiro[3.5]nonan-1-amine.
What is the SMILES notation for N-methyl-3-(4,4,4-trifluorobutoxy)spiro[3.5]nonan-1-amine?
The canonical SMILES for N-methyl-3-(4,4,4-trifluorobutoxy)spiro[3.5]nonan-1-amine is CNC1CC(OCCCC(F)(F)F)C12CCCCC2.
What is the InChIKey of N-methyl-3-(4,4,4-trifluorobutoxy)spiro[3.5]nonan-1-amine?
The InChIKey is KBNWUCGBOPPALW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24F3NO/c1-18-11-10-12(13(11)6-3-2-4-7-13)19-9-5-8-14(15,16)17/h11-12,18H,2-10H2,1H3.
What are the key properties of N-methyl-3-(4,4,4-trifluorobutoxy)spiro[3.5]nonan-1-amine?
N-methyl-3-(4,4,4-trifluorobutoxy)spiro[3.5]nonan-1-amine has a molecular weight of 279.35 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(4,4,4-trifluorobutoxy)spiro[3.5]nonan-1-amine is sourced from PubChem (CID 82794279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).