N'-ethyl-1-(5-fluoro-2-pyridinyl)-N'-propan-2-yl-N-propylpropane-1,3-diamine

C16H28FN3 — CID 83126490

IUPACN'-ethyl-1-(5-fluoro-2-pyridinyl)-N'-propan-2-yl-N-propylpropane-1,3-diamine
SMILESCCCNC(CCN(CC)C(C)C)c1ccc(F)cn1
InChIInChI=1S/C16H28FN3/c1-5-10-18-16(9-11-20(6-2)13(3)4)15-8-7-14(17)12-19-15/h7-8,12-13,16,18H,5-6,9-11H2,1-4H3
InChIKeyWBKKHSHXHFPGEQ-UHFFFAOYSA-N
MW281.42 g/mol
LogP3.38
Rot. Bonds9

About N'-ethyl-1-(5-fluoro-2-pyridinyl)-N'-propan-2-yl-N-propylpropane-1,3-diamine

N'-ethyl-1-(5-fluoro-2-pyridinyl)-N'-propan-2-yl-N-propylpropane-1,3-diamine (PubChem CID 83126490) has the molecular formula C16H28FN3 and a molecular weight of 281.42 g/mol. Its IUPAC name is N'-ethyl-1-(5-fluoro-2-pyridinyl)-N'-propan-2-yl-N-propylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-ethyl-1-(5-fluoro-2-pyridinyl)-N'-propan-2-yl-N-propylpropane-1,3-diamine
PubChem CID83126490
Molecular FormulaC16H28FN3
Molecular Weight281.42 g/mol
Exact Mass281.23
IUPAC NameN'-ethyl-1-(5-fluoro-2-pyridinyl)-N'-propan-2-yl-N-propylpropane-1,3-diamine
SMILESCCCNC(CCN(CC)C(C)C)c1ccc(F)cn1
InChIInChI=1S/C16H28FN3/c1-5-10-18-16(9-11-20(6-2)13(3)4)15-8-7-14(17)12-19-15/h7-8,12-13,16,18H,5-6,9-11H2,1-4H3
InChIKeyWBKKHSHXHFPGEQ-UHFFFAOYSA-N
XLogP3.38
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.42
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-ethyl-1-(5-fluoro-2-pyridinyl)-N'-methyl-N-propylpropane-1,3-diamine
CID 83125854
N'-[2-(dimethylamino)ethyl]-1-(5-fluoro-2-pyridinyl)-N'-methyl-N-propylpropane-1,3-diamine
CID 83111114
2-[[3-(5-fluoro-2-pyridinyl)-3-(propylamino)propyl]-(2-hydroxyethyl)amino]ethanol
CID 83109308
N'-benzyl-N'-ethyl-1-(5-fluoro-2-pyridinyl)-N-propylpropane-1,3-diamine
CID 113347329
1-(5-fluoro-2-pyridinyl)-N-propyl-3-thiophen-3-ylpropan-1-amine
CID 79713195
1-(5-fluoro-2-pyridinyl)-N-propyl-3-thiophen-2-ylpropan-1-amine
CID 79712986
1-[[3-(ethylamino)-3-(5-fluoro-2-pyridinyl)propyl]-methylamino]propan-2-ol
CID 83126298
N'-butan-2-yl-N'-ethyl-1-(5-fluoro-2-pyridinyl)propane-1,3-diamine
CID 83126144
1-(5-fluoro-2-pyridinyl)-N'-(2-methylpropyl)-N'-propan-2-ylpropane-1,3-diamine
CID 83126296
N-ethyl-1-(5-fluoro-2-pyridinyl)-N'-methyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine
CID 83126566
N'-ethyl-N-[1-(5-fluoro-2-pyridinyl)ethyl]-N'-methylethane-1,2-diamine
CID 83120084
2-[[3-amino-3-(5-fluoro-2-pyridinyl)propyl]-propan-2-ylamino]ethanol
CID 83126362

Frequently Asked Questions

What is the IUPAC name of N'-ethyl-1-(5-fluoro-2-pyridinyl)-N'-propan-2-yl-N-propylpropane-1,3-diamine?
The IUPAC name of N'-ethyl-1-(5-fluoro-2-pyridinyl)-N'-propan-2-yl-N-propylpropane-1,3-diamine (CID 83126490) is N'-ethyl-1-(5-fluoro-2-pyridinyl)-N'-propan-2-yl-N-propylpropane-1,3-diamine.
What is the SMILES notation for N'-ethyl-1-(5-fluoro-2-pyridinyl)-N'-propan-2-yl-N-propylpropane-1,3-diamine?
The canonical SMILES for N'-ethyl-1-(5-fluoro-2-pyridinyl)-N'-propan-2-yl-N-propylpropane-1,3-diamine is CCCNC(CCN(CC)C(C)C)c1ccc(F)cn1.
What is the InChIKey of N'-ethyl-1-(5-fluoro-2-pyridinyl)-N'-propan-2-yl-N-propylpropane-1,3-diamine?
The InChIKey is WBKKHSHXHFPGEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28FN3/c1-5-10-18-16(9-11-20(6-2)13(3)4)15-8-7-14(17)12-19-15/h7-8,12-13,16,18H,5-6,9-11H2,1-4H3.
What are the key properties of N'-ethyl-1-(5-fluoro-2-pyridinyl)-N'-propan-2-yl-N-propylpropane-1,3-diamine?
N'-ethyl-1-(5-fluoro-2-pyridinyl)-N'-propan-2-yl-N-propylpropane-1,3-diamine has a molecular weight of 281.42 g/mol, XLogP of 3.38, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-1-(5-fluoro-2-pyridinyl)-N'-propan-2-yl-N-propylpropane-1,3-diamine is sourced from PubChem (CID 83126490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).