3-ethyl-1-N-[1-(5-fluoro-2-pyridinyl)ethyl]-2-N,2-N-dimethylpentane-1,2-diamine

C16H28FN3 — CID 83118164

IUPAC3-ethyl-1-N-[1-(5-fluoro-2-pyridinyl)ethyl]-2-N,2-N-dimethylpentane-1,2-diamine
SMILESCCC(CC)C(CNC(C)c1ccc(F)cn1)N(C)C
InChIInChI=1S/C16H28FN3/c1-6-13(7-2)16(20(4)5)11-18-12(3)15-9-8-14(17)10-19-15/h8-10,12-13,16,18H,6-7,11H2,1-5H3
InChIKeyWIEAUVWVZVLMOB-UHFFFAOYSA-N
MW281.42 g/mol
LogP3.24
Rot. Bonds8

About 3-ethyl-1-N-[1-(5-fluoro-2-pyridinyl)ethyl]-2-N,2-N-dimethylpentane-1,2-diamine

3-ethyl-1-N-[1-(5-fluoro-2-pyridinyl)ethyl]-2-N,2-N-dimethylpentane-1,2-diamine (PubChem CID 83118164) has the molecular formula C16H28FN3 and a molecular weight of 281.42 g/mol. Its IUPAC name is 3-ethyl-1-N-[1-(5-fluoro-2-pyridinyl)ethyl]-2-N,2-N-dimethylpentane-1,2-diamine.

Molecular Properties

Compound Name3-ethyl-1-N-[1-(5-fluoro-2-pyridinyl)ethyl]-2-N,2-N-dimethylpentane-1,2-diamine
PubChem CID83118164
Molecular FormulaC16H28FN3
Molecular Weight281.42 g/mol
Exact Mass281.23
IUPAC Name3-ethyl-1-N-[1-(5-fluoro-2-pyridinyl)ethyl]-2-N,2-N-dimethylpentane-1,2-diamine
SMILESCCC(CC)C(CNC(C)c1ccc(F)cn1)N(C)C
InChIInChI=1S/C16H28FN3/c1-6-13(7-2)16(20(4)5)11-18-12(3)15-9-8-14(17)10-19-15/h8-10,12-13,16,18H,6-7,11H2,1-5H3
InChIKeyWIEAUVWVZVLMOB-UHFFFAOYSA-N
XLogP3.24
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.42
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(5-fluoro-2-pyridinyl)ethyl]-2-methylbutan-1-amine
CID 83120285
2,2-difluoro-N-[1-(5-fluoro-2-pyridinyl)ethyl]ethanamine
CID 83119275
N'-ethyl-N-[1-(5-fluoro-2-pyridinyl)ethyl]-N'-methylethane-1,2-diamine
CID 83120084
N-[1-(5-fluoro-2-pyridinyl)ethyl]but-2-yn-1-amine
CID 115896973
N-[1-(5-fluoro-2-pyridinyl)ethyl]-2,2-dimethylbutan-1-amine
CID 103460664
3-[1-(5-fluoro-2-pyridinyl)ethylamino]propan-1-ol
CID 83117272
N-[1-(5-fluoro-2-pyridinyl)ethyl]but-3-yn-1-amine
CID 83119612
2-N-[1-(5-fluoro-2-pyridinyl)ethyl]-1-N,1-N-dimethylpropane-1,2-diamine
CID 83119730
5-[1-(5-fluoro-2-pyridinyl)ethylamino]pentan-1-ol
CID 107303084
1-[1-(5-fluoro-2-pyridinyl)ethylamino]-2-methylbutan-2-ol
CID 83118832
N-[[2-[(dimethylamino)methyl]phenyl]methyl]-1-(5-fluoro-2-pyridinyl)ethanamine
CID 83118923
3-ethyl-1-N-[1-(furan-2-yl)ethyl]-2-N,2-N-dimethylpentane-1,2-diamine
CID 43208007

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-N-[1-(5-fluoro-2-pyridinyl)ethyl]-2-N,2-N-dimethylpentane-1,2-diamine?
The IUPAC name of 3-ethyl-1-N-[1-(5-fluoro-2-pyridinyl)ethyl]-2-N,2-N-dimethylpentane-1,2-diamine (CID 83118164) is 3-ethyl-1-N-[1-(5-fluoro-2-pyridinyl)ethyl]-2-N,2-N-dimethylpentane-1,2-diamine.
What is the SMILES notation for 3-ethyl-1-N-[1-(5-fluoro-2-pyridinyl)ethyl]-2-N,2-N-dimethylpentane-1,2-diamine?
The canonical SMILES for 3-ethyl-1-N-[1-(5-fluoro-2-pyridinyl)ethyl]-2-N,2-N-dimethylpentane-1,2-diamine is CCC(CC)C(CNC(C)c1ccc(F)cn1)N(C)C.
What is the InChIKey of 3-ethyl-1-N-[1-(5-fluoro-2-pyridinyl)ethyl]-2-N,2-N-dimethylpentane-1,2-diamine?
The InChIKey is WIEAUVWVZVLMOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28FN3/c1-6-13(7-2)16(20(4)5)11-18-12(3)15-9-8-14(17)10-19-15/h8-10,12-13,16,18H,6-7,11H2,1-5H3.
What are the key properties of 3-ethyl-1-N-[1-(5-fluoro-2-pyridinyl)ethyl]-2-N,2-N-dimethylpentane-1,2-diamine?
3-ethyl-1-N-[1-(5-fluoro-2-pyridinyl)ethyl]-2-N,2-N-dimethylpentane-1,2-diamine has a molecular weight of 281.42 g/mol, XLogP of 3.24, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-N-[1-(5-fluoro-2-pyridinyl)ethyl]-2-N,2-N-dimethylpentane-1,2-diamine is sourced from PubChem (CID 83118164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).