N-(1-oxaspiro[4.4]nonan-2-ylmethyl)-1-(trifluoromethyl)cyclopropan-1-amine

C13H20F3NO — CID 114158922

IUPACN-(1-oxaspiro[4.4]nonan-2-ylmethyl)-1-(trifluoromethyl)cyclopropan-1-amine
SMILESFC(F)(F)C1(NCC2CCC3(CCCC3)O2)CC1
InChIInChI=1S/C13H20F3NO/c14-13(15,16)12(7-8-12)17-9-10-3-6-11(18-10)4-1-2-5-11/h10,17H,1-9H2
InChIKeyRUTAIGXMSJAXKT-UHFFFAOYSA-N
MW263.30 g/mol
LogP3.16
Rot. Bonds3

About N-(1-oxaspiro[4.4]nonan-2-ylmethyl)-1-(trifluoromethyl)cyclopropan-1-amine

N-(1-oxaspiro[4.4]nonan-2-ylmethyl)-1-(trifluoromethyl)cyclopropan-1-amine (PubChem CID 114158922) has the molecular formula C13H20F3NO and a molecular weight of 263.30 g/mol. Its IUPAC name is N-(1-oxaspiro[4.4]nonan-2-ylmethyl)-1-(trifluoromethyl)cyclopropan-1-amine.

Molecular Properties

Compound NameN-(1-oxaspiro[4.4]nonan-2-ylmethyl)-1-(trifluoromethyl)cyclopropan-1-amine
PubChem CID114158922
Molecular FormulaC13H20F3NO
Molecular Weight263.30 g/mol
Exact Mass263.15
IUPAC NameN-(1-oxaspiro[4.4]nonan-2-ylmethyl)-1-(trifluoromethyl)cyclopropan-1-amine
SMILESFC(F)(F)C1(NCC2CCC3(CCCC3)O2)CC1
InChIInChI=1S/C13H20F3NO/c14-13(15,16)12(7-8-12)17-9-10-3-6-11(18-10)4-1-2-5-11/h10,17H,1-9H2
InChIKeyRUTAIGXMSJAXKT-UHFFFAOYSA-N
XLogP3.16
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4,4,4-trifluoro-N-methyl-1-(2-methyloxolan-2-yl)butan-1-amine
CID 80174783
N-ethyl-4,4,4-trifluoro-1-(2-methyloxolan-2-yl)butan-1-amine
CID 80174801
4,4,4-trifluoro-1-(2-methyloxolan-2-yl)-N-propylbutan-1-amine
CID 80175005
2,2,2-trifluoro-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)ethanamine
CID 102896747
2,2,2-trifluoro-N-(1-oxaspiro[4.5]decan-2-ylmethyl)ethanamine
CID 102896748
3,3,3-trifluoro-N-(1-oxaspiro[4.5]decan-2-ylmethyl)propan-1-amine
CID 102897265
N-(1-oxaspiro[4.4]nonan-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)ethanamine
CID 102897298
N-(1-oxaspiro[4.5]decan-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)ethanamine
CID 102897299
2,2-difluoro-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)ethanamine
CID 102897655
2,2-difluoro-N-(1-oxaspiro[4.5]decan-2-ylmethyl)ethanamine
CID 102897656
4,4,4-trifluoro-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)butan-1-amine
CID 102897658
4,4,4-trifluoro-N-(1-oxaspiro[4.5]decan-2-ylmethyl)butan-1-amine
CID 102897659

Frequently Asked Questions

What is the IUPAC name of N-(1-oxaspiro[4.4]nonan-2-ylmethyl)-1-(trifluoromethyl)cyclopropan-1-amine?
The IUPAC name of N-(1-oxaspiro[4.4]nonan-2-ylmethyl)-1-(trifluoromethyl)cyclopropan-1-amine (CID 114158922) is N-(1-oxaspiro[4.4]nonan-2-ylmethyl)-1-(trifluoromethyl)cyclopropan-1-amine.
What is the SMILES notation for N-(1-oxaspiro[4.4]nonan-2-ylmethyl)-1-(trifluoromethyl)cyclopropan-1-amine?
The canonical SMILES for N-(1-oxaspiro[4.4]nonan-2-ylmethyl)-1-(trifluoromethyl)cyclopropan-1-amine is FC(F)(F)C1(NCC2CCC3(CCCC3)O2)CC1.
What is the InChIKey of N-(1-oxaspiro[4.4]nonan-2-ylmethyl)-1-(trifluoromethyl)cyclopropan-1-amine?
The InChIKey is RUTAIGXMSJAXKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F3NO/c14-13(15,16)12(7-8-12)17-9-10-3-6-11(18-10)4-1-2-5-11/h10,17H,1-9H2.
What are the key properties of N-(1-oxaspiro[4.4]nonan-2-ylmethyl)-1-(trifluoromethyl)cyclopropan-1-amine?
N-(1-oxaspiro[4.4]nonan-2-ylmethyl)-1-(trifluoromethyl)cyclopropan-1-amine has a molecular weight of 263.30 g/mol, XLogP of 3.16, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-oxaspiro[4.4]nonan-2-ylmethyl)-1-(trifluoromethyl)cyclopropan-1-amine is sourced from PubChem (CID 114158922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).