N-(2-pentan-3-yloxan-4-yl)-4-(trifluoromethyl)pyridin-2-amine

C16H23F3N2O — CID 133440410

IUPACN-(2-pentan-3-yloxan-4-yl)-4-(trifluoromethyl)pyridin-2-amine
SMILESCCC(CC)C1CC(Nc2cc(C(F)(F)F)ccn2)CCO1
InChIInChI=1S/C16H23F3N2O/c1-3-11(4-2)14-10-13(6-8-22-14)21-15-9-12(5-7-20-15)16(17,18)19/h5,7,9,11,13-14H,3-4,6,8,10H2,1-2H3,(H,20,21)
InChIKeyYDCWSDMNGNODFR-UHFFFAOYSA-N
MW316.37 g/mol
LogP4.50
Rot. Bonds5

About N-(2-pentan-3-yloxan-4-yl)-4-(trifluoromethyl)pyridin-2-amine

N-(2-pentan-3-yloxan-4-yl)-4-(trifluoromethyl)pyridin-2-amine (PubChem CID 133440410) has the molecular formula C16H23F3N2O and a molecular weight of 316.37 g/mol. Its IUPAC name is N-(2-pentan-3-yloxan-4-yl)-4-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-(2-pentan-3-yloxan-4-yl)-4-(trifluoromethyl)pyridin-2-amine
PubChem CID133440410
Molecular FormulaC16H23F3N2O
Molecular Weight316.37 g/mol
Exact Mass316.18
IUPAC NameN-(2-pentan-3-yloxan-4-yl)-4-(trifluoromethyl)pyridin-2-amine
SMILESCCC(CC)C1CC(Nc2cc(C(F)(F)F)ccn2)CCO1
InChIInChI=1S/C16H23F3N2O/c1-3-11(4-2)14-10-13(6-8-22-14)21-15-9-12(5-7-20-15)16(17,18)19/h5,7,9,11,13-14H,3-4,6,8,10H2,1-2H3,(H,20,21)
InChIKeyYDCWSDMNGNODFR-UHFFFAOYSA-N
XLogP4.50
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.37
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-pentan-3-yloxan-4-yl)-2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-amine
CID 133440386
5-bromo-N-(2-pentan-3-yloxan-4-yl)pyridin-2-amine
CID 133440407
4-methoxy-N-(2-pentan-3-yloxan-4-yl)pyrimidin-2-amine
CID 133440360
N-[(2S,3S)-2-(1-ethylimidazol-2-yl)oxolan-3-yl]-4-(trifluoromethyl)pyridin-2-amine
CID 128977696
N-(2-ethylcyclopropyl)-4-(trifluoromethyl)pyridin-2-amine
CID 103736545
5-bromo-N-(2-pentan-3-yloxan-4-yl)pyrimidin-2-amine
CID 133440380
N-(1-methylpyrrolidin-3-yl)-4-(trifluoromethyl)pyridin-2-amine
CID 66329255
N-(1-cyclohexylpropyl)-4-(trifluoromethyl)pyridin-2-amine
CID 66329261
N-(1-oxaspiro[5.5]undecan-4-yl)-4-(trifluoromethyl)pyridin-2-amine
CID 133377961
N-cyclohex-3-en-1-yl-4-(trifluoromethyl)pyridin-2-amine
CID 66331048
N-[(3R)-pyrrolidin-3-yl]-4-(trifluoromethyl)pyridin-2-amine
CID 122441469
2-[(2-pentan-3-yloxan-4-yl)amino]pyridine-3-sulfonamide
CID 133440405

Frequently Asked Questions

What is the IUPAC name of N-(2-pentan-3-yloxan-4-yl)-4-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of N-(2-pentan-3-yloxan-4-yl)-4-(trifluoromethyl)pyridin-2-amine (CID 133440410) is N-(2-pentan-3-yloxan-4-yl)-4-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for N-(2-pentan-3-yloxan-4-yl)-4-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for N-(2-pentan-3-yloxan-4-yl)-4-(trifluoromethyl)pyridin-2-amine is CCC(CC)C1CC(Nc2cc(C(F)(F)F)ccn2)CCO1.
What is the InChIKey of N-(2-pentan-3-yloxan-4-yl)-4-(trifluoromethyl)pyridin-2-amine?
The InChIKey is YDCWSDMNGNODFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23F3N2O/c1-3-11(4-2)14-10-13(6-8-22-14)21-15-9-12(5-7-20-15)16(17,18)19/h5,7,9,11,13-14H,3-4,6,8,10H2,1-2H3,(H,20,21).
What are the key properties of N-(2-pentan-3-yloxan-4-yl)-4-(trifluoromethyl)pyridin-2-amine?
N-(2-pentan-3-yloxan-4-yl)-4-(trifluoromethyl)pyridin-2-amine has a molecular weight of 316.37 g/mol, XLogP of 4.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-pentan-3-yloxan-4-yl)-4-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 133440410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).