N-[[6-(trifluoromethyl)spiro[2.5]octan-2-yl]methyl]propan-2-amine

C13H22F3N — CID 64759190

IUPACN-[[6-(trifluoromethyl)spiro[2.5]octan-2-yl]methyl]propan-2-amine
SMILESCC(C)NCC1CC12CCC(C(F)(F)F)CC2
InChIInChI=1S/C13H22F3N/c1-9(2)17-8-11-7-12(11)5-3-10(4-6-12)13(14,15)16/h9-11,17H,3-8H2,1-2H3
InChIKeyGKSRTELDFZHEBT-UHFFFAOYSA-N
MW249.32 g/mol
LogP3.74
Rot. Bonds3

About N-[[6-(trifluoromethyl)spiro[2.5]octan-2-yl]methyl]propan-2-amine

N-[[6-(trifluoromethyl)spiro[2.5]octan-2-yl]methyl]propan-2-amine (PubChem CID 64759190) has the molecular formula C13H22F3N and a molecular weight of 249.32 g/mol. Its IUPAC name is N-[[6-(trifluoromethyl)spiro[2.5]octan-2-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[6-(trifluoromethyl)spiro[2.5]octan-2-yl]methyl]propan-2-amine
PubChem CID64759190
Molecular FormulaC13H22F3N
Molecular Weight249.32 g/mol
Exact Mass249.17
IUPAC NameN-[[6-(trifluoromethyl)spiro[2.5]octan-2-yl]methyl]propan-2-amine
SMILESCC(C)NCC1CC12CCC(C(F)(F)F)CC2
InChIInChI=1S/C13H22F3N/c1-9(2)17-8-11-7-12(11)5-3-10(4-6-12)13(14,15)16/h9-11,17H,3-8H2,1-2H3
InChIKeyGKSRTELDFZHEBT-UHFFFAOYSA-N
XLogP3.74
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[[6-(trifluoromethyl)spiro[2.5]octan-2-yl]methyl]propan-2-amine?
The IUPAC name of N-[[6-(trifluoromethyl)spiro[2.5]octan-2-yl]methyl]propan-2-amine (CID 64759190) is N-[[6-(trifluoromethyl)spiro[2.5]octan-2-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[6-(trifluoromethyl)spiro[2.5]octan-2-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[6-(trifluoromethyl)spiro[2.5]octan-2-yl]methyl]propan-2-amine is CC(C)NCC1CC12CCC(C(F)(F)F)CC2.
What is the InChIKey of N-[[6-(trifluoromethyl)spiro[2.5]octan-2-yl]methyl]propan-2-amine?
The InChIKey is GKSRTELDFZHEBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F3N/c1-9(2)17-8-11-7-12(11)5-3-10(4-6-12)13(14,15)16/h9-11,17H,3-8H2,1-2H3.
What are the key properties of N-[[6-(trifluoromethyl)spiro[2.5]octan-2-yl]methyl]propan-2-amine?
N-[[6-(trifluoromethyl)spiro[2.5]octan-2-yl]methyl]propan-2-amine has a molecular weight of 249.32 g/mol, XLogP of 3.74, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(trifluoromethyl)spiro[2.5]octan-2-yl]methyl]propan-2-amine is sourced from PubChem (CID 64759190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).