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

C14H24FN3 — CID 83125854

IUPACN'-ethyl-1-(5-fluoro-2-pyridinyl)-N'-methyl-N-propylpropane-1,3-diamine
SMILESCCCNC(CCN(C)CC)c1ccc(F)cn1
InChIInChI=1S/C14H24FN3/c1-4-9-16-14(8-10-18(3)5-2)13-7-6-12(15)11-17-13/h6-7,11,14,16H,4-5,8-10H2,1-3H3
InChIKeyRHQXBYPGEILDDH-UHFFFAOYSA-N
MW253.36 g/mol
LogP2.60
Rot. Bonds8

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

N'-ethyl-1-(5-fluoro-2-pyridinyl)-N'-methyl-N-propylpropane-1,3-diamine (PubChem CID 83125854) has the molecular formula C14H24FN3 and a molecular weight of 253.36 g/mol. Its IUPAC name is N'-ethyl-1-(5-fluoro-2-pyridinyl)-N'-methyl-N-propylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-ethyl-1-(5-fluoro-2-pyridinyl)-N'-methyl-N-propylpropane-1,3-diamine
PubChem CID83125854
Molecular FormulaC14H24FN3
Molecular Weight253.36 g/mol
Exact Mass253.20
IUPAC NameN'-ethyl-1-(5-fluoro-2-pyridinyl)-N'-methyl-N-propylpropane-1,3-diamine
SMILESCCCNC(CCN(C)CC)c1ccc(F)cn1
InChIInChI=1S/C14H24FN3/c1-4-9-16-14(8-10-18(3)5-2)13-7-6-12(15)11-17-13/h6-7,11,14,16H,4-5,8-10H2,1-3H3
InChIKeyRHQXBYPGEILDDH-UHFFFAOYSA-N
XLogP2.60
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.36
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-[2-(dimethylamino)ethyl]-1-(5-fluoro-2-pyridinyl)-N'-methyl-N-propylpropane-1,3-diamine
CID 83111114
N'-ethyl-1-(5-fluoro-2-pyridinyl)-N'-propan-2-yl-N-propylpropane-1,3-diamine
CID 83126490
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
N'-ethyl-N-[1-(5-fluoro-2-pyridinyl)ethyl]-N'-methylethane-1,2-diamine
CID 83120084
N-ethyl-1-(5-fluoro-2-pyridinyl)-N'-methyl-N'-(2,2,2-trifluoroethyl)propane-1,3-diamine
CID 83126566
1-[[3-(ethylamino)-3-(5-fluoro-2-pyridinyl)propyl]-methylamino]propan-2-ol
CID 83126298
N-ethyl-1-(5-fluoro-2-pyridinyl)-N'-(2-methoxyethyl)-N'-methylpropane-1,3-diamine
CID 83126155
1-(5-fluoro-2-pyridinyl)-N-propyl-3-thiophen-3-ylpropan-1-amine
CID 79713195
2-[[3-(5-fluoro-2-pyridinyl)-3-(methylamino)propyl]-methylamino]ethanol
CID 83126078
1-(5-fluoro-2-pyridinyl)-N-propyl-3-thiophen-2-ylpropan-1-amine
CID 79712986
5-[[3-(5-fluoro-2-pyridinyl)-3-(methylamino)propyl]-methylamino]pentan-1-ol
CID 107204696

Frequently Asked Questions

What is the IUPAC name of N'-ethyl-1-(5-fluoro-2-pyridinyl)-N'-methyl-N-propylpropane-1,3-diamine?
The IUPAC name of N'-ethyl-1-(5-fluoro-2-pyridinyl)-N'-methyl-N-propylpropane-1,3-diamine (CID 83125854) is N'-ethyl-1-(5-fluoro-2-pyridinyl)-N'-methyl-N-propylpropane-1,3-diamine.
What is the SMILES notation for N'-ethyl-1-(5-fluoro-2-pyridinyl)-N'-methyl-N-propylpropane-1,3-diamine?
The canonical SMILES for N'-ethyl-1-(5-fluoro-2-pyridinyl)-N'-methyl-N-propylpropane-1,3-diamine is CCCNC(CCN(C)CC)c1ccc(F)cn1.
What is the InChIKey of N'-ethyl-1-(5-fluoro-2-pyridinyl)-N'-methyl-N-propylpropane-1,3-diamine?
The InChIKey is RHQXBYPGEILDDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24FN3/c1-4-9-16-14(8-10-18(3)5-2)13-7-6-12(15)11-17-13/h6-7,11,14,16H,4-5,8-10H2,1-3H3.
What are the key properties of N'-ethyl-1-(5-fluoro-2-pyridinyl)-N'-methyl-N-propylpropane-1,3-diamine?
N'-ethyl-1-(5-fluoro-2-pyridinyl)-N'-methyl-N-propylpropane-1,3-diamine has a molecular weight of 253.36 g/mol, XLogP of 2.60, 8 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'-methyl-N-propylpropane-1,3-diamine is sourced from PubChem (CID 83125854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).