6-(azocan-1-yl)-4-(trifluoromethyl)pyridin-2-amine

C13H18F3N3 — CID 102717213

IUPAC6-(azocan-1-yl)-4-(trifluoromethyl)pyridin-2-amine
SMILESNc1cc(C(F)(F)F)cc(N2CCCCCCC2)n1
InChIInChI=1S/C13H18F3N3/c14-13(15,16)10-8-11(17)18-12(9-10)19-6-4-2-1-3-5-7-19/h8-9H,1-7H2,(H2,17,18)
InChIKeyNWFHSMRWGGFPQP-UHFFFAOYSA-N
MW273.30 g/mol
LogP3.45
Rot. Bonds1

About 6-(azocan-1-yl)-4-(trifluoromethyl)pyridin-2-amine

6-(azocan-1-yl)-4-(trifluoromethyl)pyridin-2-amine (PubChem CID 102717213) has the molecular formula C13H18F3N3 and a molecular weight of 273.30 g/mol. Its IUPAC name is 6-(azocan-1-yl)-4-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name6-(azocan-1-yl)-4-(trifluoromethyl)pyridin-2-amine
PubChem CID102717213
Molecular FormulaC13H18F3N3
Molecular Weight273.30 g/mol
Exact Mass273.15
IUPAC Name6-(azocan-1-yl)-4-(trifluoromethyl)pyridin-2-amine
SMILESNc1cc(C(F)(F)F)cc(N2CCCCCCC2)n1
InChIInChI=1S/C13H18F3N3/c14-13(15,16)10-8-11(17)18-12(9-10)19-6-4-2-1-3-5-7-19/h8-9H,1-7H2,(H2,17,18)
InChIKeyNWFHSMRWGGFPQP-UHFFFAOYSA-N
XLogP3.45
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.30
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[6-amino-4-(trifluoromethyl)-2-pyridinyl]piperidin-4-ol
CID 102717208
2-[4-[6-amino-4-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]ethanol
CID 102717512
6-pyrrolidin-1-yl-2-(trifluoromethyl)pyrimidin-4-amine
CID 106770242
6-(4-ethyl-4-methylpiperidin-1-yl)-4-(trifluoromethyl)pyridin-2-amine
CID 102718426
6-[4-(cyclopropylmethyl)piperazin-1-yl]-4-(trifluoromethyl)pyridin-2-amine
CID 102717810
N-methyl-6-pyrrolidin-1-yl-4-(trifluoromethyl)pyridin-2-amine
CID 102717162
[1-[6-amino-4-(trifluoromethyl)-2-pyridinyl]azepan-2-yl]methanol
CID 102719469
6-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)-4-(trifluoromethyl)pyridin-2-amine
CID 102718838
4-piperidin-1-yl-6-(trifluoromethyl)pyrimidin-2-amine
CID 114563772
N-ethyl-6-piperidin-1-yl-4-(trifluoromethyl)pyridin-2-amine
CID 102717200
2-pyrrolidin-1-yl-6-(trifluoromethyl)pyridin-4-amine
CID 137449340
6-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-4-(trifluoromethyl)pyridin-2-amine
CID 102718121

Frequently Asked Questions

What is the IUPAC name of 6-(azocan-1-yl)-4-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 6-(azocan-1-yl)-4-(trifluoromethyl)pyridin-2-amine (CID 102717213) is 6-(azocan-1-yl)-4-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 6-(azocan-1-yl)-4-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 6-(azocan-1-yl)-4-(trifluoromethyl)pyridin-2-amine is Nc1cc(C(F)(F)F)cc(N2CCCCCCC2)n1.
What is the InChIKey of 6-(azocan-1-yl)-4-(trifluoromethyl)pyridin-2-amine?
The InChIKey is NWFHSMRWGGFPQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F3N3/c14-13(15,16)10-8-11(17)18-12(9-10)19-6-4-2-1-3-5-7-19/h8-9H,1-7H2,(H2,17,18).
What are the key properties of 6-(azocan-1-yl)-4-(trifluoromethyl)pyridin-2-amine?
6-(azocan-1-yl)-4-(trifluoromethyl)pyridin-2-amine has a molecular weight of 273.30 g/mol, XLogP of 3.45, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(azocan-1-yl)-4-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 102717213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).