N-(1-oxaspiro[5.5]undecan-4-yl)-3-(trifluoromethyl)pyridin-2-amine

C16H21F3N2O — CID 133377933

IUPACN-(1-oxaspiro[5.5]undecan-4-yl)-3-(trifluoromethyl)pyridin-2-amine
SMILESFC(F)(F)c1cccnc1NC1CCOC2(CCCCC2)C1
InChIInChI=1S/C16H21F3N2O/c17-16(18,19)13-5-4-9-20-14(13)21-12-6-10-22-15(11-12)7-2-1-3-8-15/h4-5,9,12H,1-3,6-8,10-11H2,(H,20,21)
InChIKeyBSFUZHWSDZOCII-UHFFFAOYSA-N
MW314.35 g/mol
LogP4.39
Rot. Bonds2

About N-(1-oxaspiro[5.5]undecan-4-yl)-3-(trifluoromethyl)pyridin-2-amine

N-(1-oxaspiro[5.5]undecan-4-yl)-3-(trifluoromethyl)pyridin-2-amine (PubChem CID 133377933) has the molecular formula C16H21F3N2O and a molecular weight of 314.35 g/mol. Its IUPAC name is N-(1-oxaspiro[5.5]undecan-4-yl)-3-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-(1-oxaspiro[5.5]undecan-4-yl)-3-(trifluoromethyl)pyridin-2-amine
PubChem CID133377933
Molecular FormulaC16H21F3N2O
Molecular Weight314.35 g/mol
Exact Mass314.16
IUPAC NameN-(1-oxaspiro[5.5]undecan-4-yl)-3-(trifluoromethyl)pyridin-2-amine
SMILESFC(F)(F)c1cccnc1NC1CCOC2(CCCCC2)C1
InChIInChI=1S/C16H21F3N2O/c17-16(18,19)13-5-4-9-20-14(13)21-12-6-10-22-15(11-12)7-2-1-3-8-15/h4-5,9,12H,1-3,6-8,10-11H2,(H,20,21)
InChIKeyBSFUZHWSDZOCII-UHFFFAOYSA-N
XLogP4.39
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.35
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(6-oxaspiro[4.5]decan-9-ylamino)pyridine-3-sulfonamide
CID 133377701
N-(1-oxaspiro[5.5]undecan-4-yl)-4-(trifluoromethyl)pyridin-2-amine
CID 133377961
N-(1,1-dioxothian-3-yl)-3-(trifluoromethyl)pyridin-2-amine
CID 63922973
N-[[2-(trifluoromethyl)phenyl]methyl]-5-oxaspiro[3.5]nonan-8-amine
CID 79899877
N-(6-oxaspiro[4.5]decan-9-yl)-2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-amine
CID 127597643
N-[4-chloro-2-(trifluoromethyl)phenyl]-5-oxaspiro[3.5]nonan-8-amine
CID 79901887
5-methyl-N-(1-oxaspiro[5.5]undecan-4-yl)quinazolin-4-amine
CID 133377878
N-(thiolan-3-yl)-3-(trifluoromethyl)pyridin-2-amine
CID 103704298
6-fluoro-N-(6-oxaspiro[4.5]decan-9-yl)quinazolin-4-amine
CID 133377625
4-methyl-N-[(9R)-6-oxaspiro[4.5]decan-9-yl]pyrimidin-2-amine
CID 97234618
3-[[3-(trifluoromethyl)-2-pyridinyl]amino]cyclohexane-1-carboxylic acid
CID 63041886
8-methyl-N-(6-oxaspiro[4.5]decan-9-yl)quinolin-4-amine
CID 133377787

Frequently Asked Questions

What is the IUPAC name of N-(1-oxaspiro[5.5]undecan-4-yl)-3-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of N-(1-oxaspiro[5.5]undecan-4-yl)-3-(trifluoromethyl)pyridin-2-amine (CID 133377933) is N-(1-oxaspiro[5.5]undecan-4-yl)-3-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for N-(1-oxaspiro[5.5]undecan-4-yl)-3-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for N-(1-oxaspiro[5.5]undecan-4-yl)-3-(trifluoromethyl)pyridin-2-amine is FC(F)(F)c1cccnc1NC1CCOC2(CCCCC2)C1.
What is the InChIKey of N-(1-oxaspiro[5.5]undecan-4-yl)-3-(trifluoromethyl)pyridin-2-amine?
The InChIKey is BSFUZHWSDZOCII-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F3N2O/c17-16(18,19)13-5-4-9-20-14(13)21-12-6-10-22-15(11-12)7-2-1-3-8-15/h4-5,9,12H,1-3,6-8,10-11H2,(H,20,21).
What are the key properties of N-(1-oxaspiro[5.5]undecan-4-yl)-3-(trifluoromethyl)pyridin-2-amine?
N-(1-oxaspiro[5.5]undecan-4-yl)-3-(trifluoromethyl)pyridin-2-amine has a molecular weight of 314.35 g/mol, XLogP of 4.39, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-oxaspiro[5.5]undecan-4-yl)-3-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 133377933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).