N'-ethyl-N'-[2-(trifluoromethyl)-4-pyridinyl]propane-1,3-diamine

C11H16F3N3 — CID 114270121

IUPACN'-ethyl-N'-[2-(trifluoromethyl)-4-pyridinyl]propane-1,3-diamine
SMILESCCN(CCCN)c1ccnc(C(F)(F)F)c1
InChIInChI=1S/C11H16F3N3/c1-2-17(7-3-5-15)9-4-6-16-10(8-9)11(12,13)14/h4,6,8H,2-3,5,7,15H2,1H3
InChIKeyPPLKKPYUXAURSC-UHFFFAOYSA-N
MW247.26 g/mol
LogP2.28
Rot. Bonds5

About N'-ethyl-N'-[2-(trifluoromethyl)-4-pyridinyl]propane-1,3-diamine

N'-ethyl-N'-[2-(trifluoromethyl)-4-pyridinyl]propane-1,3-diamine (PubChem CID 114270121) has the molecular formula C11H16F3N3 and a molecular weight of 247.26 g/mol. Its IUPAC name is N'-ethyl-N'-[2-(trifluoromethyl)-4-pyridinyl]propane-1,3-diamine.

Molecular Properties

Compound NameN'-ethyl-N'-[2-(trifluoromethyl)-4-pyridinyl]propane-1,3-diamine
PubChem CID114270121
Molecular FormulaC11H16F3N3
Molecular Weight247.26 g/mol
Exact Mass247.13
IUPAC NameN'-ethyl-N'-[2-(trifluoromethyl)-4-pyridinyl]propane-1,3-diamine
SMILESCCN(CCCN)c1ccnc(C(F)(F)F)c1
InChIInChI=1S/C11H16F3N3/c1-2-17(7-3-5-15)9-4-6-16-10(8-9)11(12,13)14/h4,6,8H,2-3,5,7,15H2,1H3
InChIKeyPPLKKPYUXAURSC-UHFFFAOYSA-N
XLogP2.28
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.26
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(trifluoromethyl)-4-pyridinyl]ethanamine;hydrochloride
CID 155858331
N'-ethyl-N'-[2-(trifluoromethyl)phenyl]propane-1,3-diamine
CID 62313462
2-(aminomethyl)-N,N-dibutylpyridin-4-amine
CID 62300849
4-[2-aminoethyl(ethyl)amino]-N,N-diethylpyridine-2-carboxamide
CID 63765883
N'-benzyl-N'-(2-methyl-4-pyridinyl)propane-1,3-diamine
CID 107368407
2-[methyl-[2-(trifluoromethyl)-4-pyridinyl]amino]acetic acid
CID 83841313
4-[2-aminoethyl(ethyl)amino]-N-methylpyridine-2-carboxamide
CID 63765132
N'-ethyl-N'-(1-methylimidazo[4,5-c]pyridin-4-yl)propane-1,3-diamine
CID 103385181
2-(aminomethyl)-N-(2-ethoxyethyl)-N-ethylpyridin-4-amine
CID 63697340
N'-[3-(aminomethyl)-6-(trifluoromethyl)-2-pyridinyl]-N'-ethyl-N,N-dimethylpropane-1,3-diamine
CID 102991313
N'-(3-methylphenyl)-N'-(pyrimidin-2-ylmethyl)propane-1,3-diamine
CID 62698006
N'-(2,6-difluorophenyl)-N'-ethylpropane-1,3-diamine
CID 28792510

Frequently Asked Questions

What is the IUPAC name of N'-ethyl-N'-[2-(trifluoromethyl)-4-pyridinyl]propane-1,3-diamine?
The IUPAC name of N'-ethyl-N'-[2-(trifluoromethyl)-4-pyridinyl]propane-1,3-diamine (CID 114270121) is N'-ethyl-N'-[2-(trifluoromethyl)-4-pyridinyl]propane-1,3-diamine.
What is the SMILES notation for N'-ethyl-N'-[2-(trifluoromethyl)-4-pyridinyl]propane-1,3-diamine?
The canonical SMILES for N'-ethyl-N'-[2-(trifluoromethyl)-4-pyridinyl]propane-1,3-diamine is CCN(CCCN)c1ccnc(C(F)(F)F)c1.
What is the InChIKey of N'-ethyl-N'-[2-(trifluoromethyl)-4-pyridinyl]propane-1,3-diamine?
The InChIKey is PPLKKPYUXAURSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3/c1-2-17(7-3-5-15)9-4-6-16-10(8-9)11(12,13)14/h4,6,8H,2-3,5,7,15H2,1H3.
What are the key properties of N'-ethyl-N'-[2-(trifluoromethyl)-4-pyridinyl]propane-1,3-diamine?
N'-ethyl-N'-[2-(trifluoromethyl)-4-pyridinyl]propane-1,3-diamine has a molecular weight of 247.26 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-N'-[2-(trifluoromethyl)-4-pyridinyl]propane-1,3-diamine is sourced from PubChem (CID 114270121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).