N-propyl-3-(1,1,1-trifluoropropan-2-yloxy)spiro[3.5]nonan-1-amine

C15H26F3NO — CID 66350084

IUPACN-propyl-3-(1,1,1-trifluoropropan-2-yloxy)spiro[3.5]nonan-1-amine
SMILESCCCNC1CC(OC(C)C(F)(F)F)C12CCCCC2
InChIInChI=1S/C15H26F3NO/c1-3-9-19-12-10-13(20-11(2)15(16,17)18)14(12)7-5-4-6-8-14/h11-13,19H,3-10H2,1-2H3
InChIKeyNIOTXLOZRGGHIZ-UHFFFAOYSA-N
MW293.37 g/mol
LogP4.04
Rot. Bonds5

About N-propyl-3-(1,1,1-trifluoropropan-2-yloxy)spiro[3.5]nonan-1-amine

N-propyl-3-(1,1,1-trifluoropropan-2-yloxy)spiro[3.5]nonan-1-amine (PubChem CID 66350084) has the molecular formula C15H26F3NO and a molecular weight of 293.37 g/mol. Its IUPAC name is N-propyl-3-(1,1,1-trifluoropropan-2-yloxy)spiro[3.5]nonan-1-amine.

Molecular Properties

Compound NameN-propyl-3-(1,1,1-trifluoropropan-2-yloxy)spiro[3.5]nonan-1-amine
PubChem CID66350084
Molecular FormulaC15H26F3NO
Molecular Weight293.37 g/mol
Exact Mass293.20
IUPAC NameN-propyl-3-(1,1,1-trifluoropropan-2-yloxy)spiro[3.5]nonan-1-amine
SMILESCCCNC1CC(OC(C)C(F)(F)F)C12CCCCC2
InChIInChI=1S/C15H26F3NO/c1-3-9-19-12-10-13(20-11(2)15(16,17)18)14(12)7-5-4-6-8-14/h11-13,19H,3-10H2,1-2H3
InChIKeyNIOTXLOZRGGHIZ-UHFFFAOYSA-N
XLogP4.04
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-ethyl-3-(1,1,1-trifluoropropan-2-yloxy)spiro[3.4]octan-1-amine
CID 66350530
N-methyl-3-(1,1,1-trifluoropropan-2-yloxy)spiro[3.6]decan-1-amine
CID 66351620
3-butoxy-N-propylspiro[3.6]decan-1-amine
CID 66357055
3-ethoxy-N-(2,2,2-trifluoroethyl)spiro[3.5]nonan-1-amine
CID 65170650
3-ethoxy-N-(4-methylpentyl)spiro[3.5]nonan-1-amine
CID 65167976
N-propyl-2-(1,1,1-trifluoropropan-2-yloxy)cycloheptan-1-amine
CID 66274569
3-ethoxy-N-(5,5,5-trifluoropentyl)spiro[3.4]octan-1-amine
CID 115517615
5-[(3-ethoxyspiro[3.5]nonan-1-yl)amino]pentan-2-ol
CID 107270264
N-ethyl-3-(3,3,3-trifluoropropoxy)spiro[3.6]decan-1-amine
CID 82956691
N-ethyl-3-(3,3,3-trifluoropropoxy)spiro[3.5]nonan-1-amine
CID 82958075
3-(2,3-difluorophenoxy)-N-propylspiro[3.4]octan-1-amine
CID 66350700
N-ethyl-3-(3-methylbutoxy)spiro[3.6]decan-1-amine
CID 66357172

Frequently Asked Questions

What is the IUPAC name of N-propyl-3-(1,1,1-trifluoropropan-2-yloxy)spiro[3.5]nonan-1-amine?
The IUPAC name of N-propyl-3-(1,1,1-trifluoropropan-2-yloxy)spiro[3.5]nonan-1-amine (CID 66350084) is N-propyl-3-(1,1,1-trifluoropropan-2-yloxy)spiro[3.5]nonan-1-amine.
What is the SMILES notation for N-propyl-3-(1,1,1-trifluoropropan-2-yloxy)spiro[3.5]nonan-1-amine?
The canonical SMILES for N-propyl-3-(1,1,1-trifluoropropan-2-yloxy)spiro[3.5]nonan-1-amine is CCCNC1CC(OC(C)C(F)(F)F)C12CCCCC2.
What is the InChIKey of N-propyl-3-(1,1,1-trifluoropropan-2-yloxy)spiro[3.5]nonan-1-amine?
The InChIKey is NIOTXLOZRGGHIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26F3NO/c1-3-9-19-12-10-13(20-11(2)15(16,17)18)14(12)7-5-4-6-8-14/h11-13,19H,3-10H2,1-2H3.
What are the key properties of N-propyl-3-(1,1,1-trifluoropropan-2-yloxy)spiro[3.5]nonan-1-amine?
N-propyl-3-(1,1,1-trifluoropropan-2-yloxy)spiro[3.5]nonan-1-amine has a molecular weight of 293.37 g/mol, XLogP of 4.04, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-3-(1,1,1-trifluoropropan-2-yloxy)spiro[3.5]nonan-1-amine is sourced from PubChem (CID 66350084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).