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

C16H21F3N2O — CID 133377961

IUPACN-(1-oxaspiro[5.5]undecan-4-yl)-4-(trifluoromethyl)pyridin-2-amine
SMILESFC(F)(F)c1ccnc(NC2CCOC3(CCCCC3)C2)c1
InChIInChI=1S/C16H21F3N2O/c17-16(18,19)12-4-8-20-14(10-12)21-13-5-9-22-15(11-13)6-2-1-3-7-15/h4,8,10,13H,1-3,5-7,9,11H2,(H,20,21)
InChIKeyGCWMBZPXUXTULX-UHFFFAOYSA-N
MW314.35 g/mol
LogP4.39
Rot. Bonds2

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

N-(1-oxaspiro[5.5]undecan-4-yl)-4-(trifluoromethyl)pyridin-2-amine (PubChem CID 133377961) 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)-4-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-(1-oxaspiro[5.5]undecan-4-yl)-4-(trifluoromethyl)pyridin-2-amine
PubChem CID133377961
Molecular FormulaC16H21F3N2O
Molecular Weight314.35 g/mol
Exact Mass314.16
IUPAC NameN-(1-oxaspiro[5.5]undecan-4-yl)-4-(trifluoromethyl)pyridin-2-amine
SMILESFC(F)(F)c1ccnc(NC2CCOC3(CCCCC3)C2)c1
InChIInChI=1S/C16H21F3N2O/c17-16(18,19)12-4-8-20-14(10-12)21-13-5-9-22-15(11-13)6-2-1-3-7-15/h4,8,10,13H,1-3,5-7,9,11H2,(H,20,21)
InChIKeyGCWMBZPXUXTULX-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

N-[2-fluoro-5-(trifluoromethyl)phenyl]-5-oxaspiro[3.5]nonan-8-amine
CID 79899901
N-(1-oxaspiro[5.5]undecan-4-yl)-3-(trifluoromethyl)pyridin-2-amine
CID 133377933
N-(6-oxaspiro[4.5]decan-9-yl)-2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-amine
CID 127597643
N-[(3R)-pyrrolidin-3-yl]-4-(trifluoromethyl)pyridin-2-amine
CID 122441469
6-chloro-2-cyclopropyl-N-(1-oxaspiro[5.5]undecan-4-yl)pyrimidin-4-amine
CID 133421176
4-methyl-N-[(9R)-6-oxaspiro[4.5]decan-9-yl]pyrimidin-2-amine
CID 97234618
N-cyclohex-3-en-1-yl-4-(trifluoromethyl)pyridin-2-amine
CID 66331048
N-(2,5-dibromophenyl)-1-oxaspiro[5.5]undecan-4-amine
CID 79895723
N-(1-methylpyrrolidin-3-yl)-4-(trifluoromethyl)pyridin-2-amine
CID 66329255
1-N-[4-(trifluoromethyl)-2-pyridinyl]cycloheptane-1,2-diamine
CID 66329078
4-(4-fluorophenoxy)-N-(1-oxaspiro[5.5]undecan-4-yl)pyrimidin-2-amine
CID 133377929
N-(2-pentan-3-yloxan-4-yl)-4-(trifluoromethyl)pyridin-2-amine
CID 133440410

Frequently Asked Questions

What is the IUPAC name of N-(1-oxaspiro[5.5]undecan-4-yl)-4-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of N-(1-oxaspiro[5.5]undecan-4-yl)-4-(trifluoromethyl)pyridin-2-amine (CID 133377961) is N-(1-oxaspiro[5.5]undecan-4-yl)-4-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for N-(1-oxaspiro[5.5]undecan-4-yl)-4-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for N-(1-oxaspiro[5.5]undecan-4-yl)-4-(trifluoromethyl)pyridin-2-amine is FC(F)(F)c1ccnc(NC2CCOC3(CCCCC3)C2)c1.
What is the InChIKey of N-(1-oxaspiro[5.5]undecan-4-yl)-4-(trifluoromethyl)pyridin-2-amine?
The InChIKey is GCWMBZPXUXTULX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F3N2O/c17-16(18,19)12-4-8-20-14(10-12)21-13-5-9-22-15(11-13)6-2-1-3-7-15/h4,8,10,13H,1-3,5-7,9,11H2,(H,20,21).
What are the key properties of N-(1-oxaspiro[5.5]undecan-4-yl)-4-(trifluoromethyl)pyridin-2-amine?
N-(1-oxaspiro[5.5]undecan-4-yl)-4-(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)-4-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 133377961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).