N-[[6-(ethylaminomethyl)-2-pyridinyl]methyl]-N-(2,2,2-trifluoroethyl)propan-1-amine

C14H22F3N3 — CID 106906050

IUPACN-[[6-(ethylaminomethyl)-2-pyridinyl]methyl]-N-(2,2,2-trifluoroethyl)propan-1-amine
SMILESCCCN(Cc1cccc(CNCC)n1)CC(F)(F)F
InChIInChI=1S/C14H22F3N3/c1-3-8-20(11-14(15,16)17)10-13-7-5-6-12(19-13)9-18-4-2/h5-7,18H,3-4,8-11H2,1-2H3
InChIKeyDPAXKSZIMMQNFI-UHFFFAOYSA-N
MW289.35 g/mol
LogP2.97
Rot. Bonds8

About N-[[6-(ethylaminomethyl)-2-pyridinyl]methyl]-N-(2,2,2-trifluoroethyl)propan-1-amine

N-[[6-(ethylaminomethyl)-2-pyridinyl]methyl]-N-(2,2,2-trifluoroethyl)propan-1-amine (PubChem CID 106906050) has the molecular formula C14H22F3N3 and a molecular weight of 289.35 g/mol. Its IUPAC name is N-[[6-(ethylaminomethyl)-2-pyridinyl]methyl]-N-(2,2,2-trifluoroethyl)propan-1-amine.

Molecular Properties

Compound NameN-[[6-(ethylaminomethyl)-2-pyridinyl]methyl]-N-(2,2,2-trifluoroethyl)propan-1-amine
PubChem CID106906050
Molecular FormulaC14H22F3N3
Molecular Weight289.35 g/mol
Exact Mass289.18
IUPAC NameN-[[6-(ethylaminomethyl)-2-pyridinyl]methyl]-N-(2,2,2-trifluoroethyl)propan-1-amine
SMILESCCCN(Cc1cccc(CNCC)n1)CC(F)(F)F
InChIInChI=1S/C14H22F3N3/c1-3-8-20(11-14(15,16)17)10-13-7-5-6-12(19-13)9-18-4-2/h5-7,18H,3-4,8-11H2,1-2H3
InChIKeyDPAXKSZIMMQNFI-UHFFFAOYSA-N
XLogP2.97
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.35
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[6-(ethylaminomethyl)-2-pyridinyl]methyl]ethanamine
CID 11566567
2-ethoxy-N-ethyl-N-[[6-(ethylaminomethyl)-2-pyridinyl]methyl]ethanamine
CID 106906611
N-[[6-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]-2-pyridinyl]methyl]propan-1-amine
CID 106906020
N'-ethyl-N'-[[6-(ethylaminomethyl)-2-pyridinyl]methyl]-N,N-dimethylpropane-1,3-diamine
CID 106907275
N-ethyl-N-[[6-(methylaminomethyl)-2-pyridinyl]methyl]propan-1-amine
CID 106905733
6-(ethylaminomethyl)-N-methyl-N-propylpyridin-2-amine
CID 62279844
N'-propyl-N-(pyridin-2-ylmethyl)-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 62554005
N-[[6-(ethylaminomethyl)-2-pyridinyl]methyl]-N-propan-2-ylpentan-1-amine
CID 106906306
N-[[6-[[(4-fluorophenyl)methyl-methylamino]methyl]-2-pyridinyl]methyl]ethanamine
CID 106905328
2-[(6-methoxy-2-pyridinyl)methyl-(2,2,2-trifluoroethyl)amino]ethanol
CID 103864888
N-[[6-(ethylaminomethyl)-2-pyridinyl]methyl]-N-methylpentan-3-amine
CID 106905876
N-[[6-[[bis(2-methoxyethyl)amino]methyl]-2-pyridinyl]methyl]propan-1-amine
CID 106906390

Frequently Asked Questions

What is the IUPAC name of N-[[6-(ethylaminomethyl)-2-pyridinyl]methyl]-N-(2,2,2-trifluoroethyl)propan-1-amine?
The IUPAC name of N-[[6-(ethylaminomethyl)-2-pyridinyl]methyl]-N-(2,2,2-trifluoroethyl)propan-1-amine (CID 106906050) is N-[[6-(ethylaminomethyl)-2-pyridinyl]methyl]-N-(2,2,2-trifluoroethyl)propan-1-amine.
What is the SMILES notation for N-[[6-(ethylaminomethyl)-2-pyridinyl]methyl]-N-(2,2,2-trifluoroethyl)propan-1-amine?
The canonical SMILES for N-[[6-(ethylaminomethyl)-2-pyridinyl]methyl]-N-(2,2,2-trifluoroethyl)propan-1-amine is CCCN(Cc1cccc(CNCC)n1)CC(F)(F)F.
What is the InChIKey of N-[[6-(ethylaminomethyl)-2-pyridinyl]methyl]-N-(2,2,2-trifluoroethyl)propan-1-amine?
The InChIKey is DPAXKSZIMMQNFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22F3N3/c1-3-8-20(11-14(15,16)17)10-13-7-5-6-12(19-13)9-18-4-2/h5-7,18H,3-4,8-11H2,1-2H3.
What are the key properties of N-[[6-(ethylaminomethyl)-2-pyridinyl]methyl]-N-(2,2,2-trifluoroethyl)propan-1-amine?
N-[[6-(ethylaminomethyl)-2-pyridinyl]methyl]-N-(2,2,2-trifluoroethyl)propan-1-amine has a molecular weight of 289.35 g/mol, XLogP of 2.97, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(ethylaminomethyl)-2-pyridinyl]methyl]-N-(2,2,2-trifluoroethyl)propan-1-amine is sourced from PubChem (CID 106906050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).