6-(1-aminopropyl)-N-ethyl-N-(2,2,2-trifluoroethyl)pyridin-3-amine

C12H18F3N3 — CID 112584364

IUPAC6-(1-aminopropyl)-N-ethyl-N-(2,2,2-trifluoroethyl)pyridin-3-amine
SMILESCCC(N)c1ccc(N(CC)CC(F)(F)F)cn1
InChIInChI=1S/C12H18F3N3/c1-3-10(16)11-6-5-9(7-17-11)18(4-2)8-12(13,14)15/h5-7,10H,3-4,8,16H2,1-2H3
InChIKeyJLACCNUWFHMDIQ-UHFFFAOYSA-N
MW261.29 g/mol
LogP2.88
Rot. Bonds5

About 6-(1-aminopropyl)-N-ethyl-N-(2,2,2-trifluoroethyl)pyridin-3-amine

6-(1-aminopropyl)-N-ethyl-N-(2,2,2-trifluoroethyl)pyridin-3-amine (PubChem CID 112584364) has the molecular formula C12H18F3N3 and a molecular weight of 261.29 g/mol. Its IUPAC name is 6-(1-aminopropyl)-N-ethyl-N-(2,2,2-trifluoroethyl)pyridin-3-amine.

Molecular Properties

Compound Name6-(1-aminopropyl)-N-ethyl-N-(2,2,2-trifluoroethyl)pyridin-3-amine
PubChem CID112584364
Molecular FormulaC12H18F3N3
Molecular Weight261.29 g/mol
Exact Mass261.15
IUPAC Name6-(1-aminopropyl)-N-ethyl-N-(2,2,2-trifluoroethyl)pyridin-3-amine
SMILESCCC(N)c1ccc(N(CC)CC(F)(F)F)cn1
InChIInChI=1S/C12H18F3N3/c1-3-10(16)11-6-5-9(7-17-11)18(4-2)8-12(13,14)15/h5-7,10H,3-4,8,16H2,1-2H3
InChIKeyJLACCNUWFHMDIQ-UHFFFAOYSA-N
XLogP2.88
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.29
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-(1-aminopropyl)-N,N-diethylpyridin-3-amine
CID 112584036
(1R)-1-[5-[ethyl(2,2,2-trifluoroethyl)amino]-2-pyridinyl]propan-1-ol
CID 113355353
6-[(1R)-1-aminopropyl]-N-(2-ethoxyethyl)-N-ethylpyridin-3-amine
CID 113355135
6-(1-aminopropyl)-N,N-bis(2-methylpropyl)pyridin-3-amine
CID 112584255
6-[(1R)-1-aminopropyl]-N-ethyl-N-(pyridin-4-ylmethyl)pyridin-3-amine
CID 103937134
6-[(1R)-1-aminopropyl]-N,N-dibutylpyridin-3-amine
CID 103936956
6-(1-aminopropyl)-N-(2,2-dimethylpropyl)-N-methylpyridin-3-amine
CID 112584377
6-(1-aminopropyl)-N-ethyl-N-(furan-2-ylmethyl)pyridin-3-amine
CID 112584265
6-(1-aminopropyl)-N-ethyl-N-phenylpyridin-3-amine
CID 112584084
6-[(1S)-1-aminopropyl]-N-methyl-N-(2-methylbutan-2-yl)pyridin-3-amine
CID 103937401
6-(1-aminopropyl)-N-propyl-N-prop-2-ynylpyridin-3-amine
CID 112584549
6-[(1S)-1-aminopropyl]-N-methyl-N-propylpyridin-3-amine
CID 103936975

Frequently Asked Questions

What is the IUPAC name of 6-(1-aminopropyl)-N-ethyl-N-(2,2,2-trifluoroethyl)pyridin-3-amine?
The IUPAC name of 6-(1-aminopropyl)-N-ethyl-N-(2,2,2-trifluoroethyl)pyridin-3-amine (CID 112584364) is 6-(1-aminopropyl)-N-ethyl-N-(2,2,2-trifluoroethyl)pyridin-3-amine.
What is the SMILES notation for 6-(1-aminopropyl)-N-ethyl-N-(2,2,2-trifluoroethyl)pyridin-3-amine?
The canonical SMILES for 6-(1-aminopropyl)-N-ethyl-N-(2,2,2-trifluoroethyl)pyridin-3-amine is CCC(N)c1ccc(N(CC)CC(F)(F)F)cn1.
What is the InChIKey of 6-(1-aminopropyl)-N-ethyl-N-(2,2,2-trifluoroethyl)pyridin-3-amine?
The InChIKey is JLACCNUWFHMDIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3N3/c1-3-10(16)11-6-5-9(7-17-11)18(4-2)8-12(13,14)15/h5-7,10H,3-4,8,16H2,1-2H3.
What are the key properties of 6-(1-aminopropyl)-N-ethyl-N-(2,2,2-trifluoroethyl)pyridin-3-amine?
6-(1-aminopropyl)-N-ethyl-N-(2,2,2-trifluoroethyl)pyridin-3-amine has a molecular weight of 261.29 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-aminopropyl)-N-ethyl-N-(2,2,2-trifluoroethyl)pyridin-3-amine is sourced from PubChem (CID 112584364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).