1-(5-fluoro-2-pyridinyl)-N,N',N',2-tetramethylpropane-1,3-diamine

C12H20FN3 — CID 112586269

IUPAC1-(5-fluoro-2-pyridinyl)-N,N',N',2-tetramethylpropane-1,3-diamine
SMILESCNC(c1ccc(F)cn1)C(C)CN(C)C
InChIInChI=1S/C12H20FN3/c1-9(8-16(3)4)12(14-2)11-6-5-10(13)7-15-11/h5-7,9,12,14H,8H2,1-4H3
InChIKeyKCQRKXJECKWMJT-UHFFFAOYSA-N
MW225.31 g/mol
LogP1.68
Rot. Bonds5

About 1-(5-fluoro-2-pyridinyl)-N,N',N',2-tetramethylpropane-1,3-diamine

1-(5-fluoro-2-pyridinyl)-N,N',N',2-tetramethylpropane-1,3-diamine (PubChem CID 112586269) has the molecular formula C12H20FN3 and a molecular weight of 225.31 g/mol. Its IUPAC name is 1-(5-fluoro-2-pyridinyl)-N,N',N',2-tetramethylpropane-1,3-diamine.

Molecular Properties

Compound Name1-(5-fluoro-2-pyridinyl)-N,N',N',2-tetramethylpropane-1,3-diamine
PubChem CID112586269
Molecular FormulaC12H20FN3
Molecular Weight225.31 g/mol
Exact Mass225.16
IUPAC Name1-(5-fluoro-2-pyridinyl)-N,N',N',2-tetramethylpropane-1,3-diamine
SMILESCNC(c1ccc(F)cn1)C(C)CN(C)C
InChIInChI=1S/C12H20FN3/c1-9(8-16(3)4)12(14-2)11-6-5-10(13)7-15-11/h5-7,9,12,14H,8H2,1-4H3
InChIKeyKCQRKXJECKWMJT-UHFFFAOYSA-N
XLogP1.68
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.31
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-1-(5-fluoro-2-pyridinyl)-N',N',2-trimethylpropane-1,3-diamine
CID 112586268
N'-cyclopentyl-1-(5-fluoro-2-pyridinyl)-N,N',2-trimethylpropane-1,3-diamine
CID 115941183
1-(5-fluoro-2-pyridinyl)-N,N',2-trimethyl-N'-(1-methylsulfanylpropan-2-yl)propane-1,3-diamine
CID 115987563
N'-cyclopropyl-1-(5-fluoro-2-pyridinyl)-N,2-dimethyl-N'-(2-methylpropyl)propane-1,3-diamine
CID 115941288
2-N-[1-(5-fluoro-2-pyridinyl)ethyl]-1-N,1-N-dimethylpropane-1,2-diamine
CID 83119730
2-[[3-(ethylamino)-3-(5-fluoro-2-pyridinyl)-2-methylpropyl]-methylamino]propan-1-ol
CID 104554713
(2R)-1-[[1-(5-fluoro-2-pyridinyl)-2-methylpropyl]amino]propan-2-ol
CID 103952261
3-[1-(dimethylamino)propan-2-yl-ethylamino]-1-(5-fluoro-2-pyridinyl)-2-methylpropan-1-ol
CID 103191427
1-(5-fluoro-2-pyridinyl)-N,2-dimethyl-3-(1,4-oxazepan-4-yl)propan-1-amine
CID 115941378
N'-ethyl-1-(5-fluoro-2-pyridinyl)-N',2-dimethylpropane-1,3-diamine
CID 112586276
N,N'-diethyl-1-(5-fluoro-2-pyridinyl)-N'-(2-methoxyethyl)-2-methylpropane-1,3-diamine
CID 115941310
[1-[3-(5-fluoro-2-pyridinyl)-2-methyl-3-(methylamino)propyl]pyrrolidin-3-yl]methanol
CID 115967196

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-pyridinyl)-N,N',N',2-tetramethylpropane-1,3-diamine?
The IUPAC name of 1-(5-fluoro-2-pyridinyl)-N,N',N',2-tetramethylpropane-1,3-diamine (CID 112586269) is 1-(5-fluoro-2-pyridinyl)-N,N',N',2-tetramethylpropane-1,3-diamine.
What is the SMILES notation for 1-(5-fluoro-2-pyridinyl)-N,N',N',2-tetramethylpropane-1,3-diamine?
The canonical SMILES for 1-(5-fluoro-2-pyridinyl)-N,N',N',2-tetramethylpropane-1,3-diamine is CNC(c1ccc(F)cn1)C(C)CN(C)C.
What is the InChIKey of 1-(5-fluoro-2-pyridinyl)-N,N',N',2-tetramethylpropane-1,3-diamine?
The InChIKey is KCQRKXJECKWMJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20FN3/c1-9(8-16(3)4)12(14-2)11-6-5-10(13)7-15-11/h5-7,9,12,14H,8H2,1-4H3.
What are the key properties of 1-(5-fluoro-2-pyridinyl)-N,N',N',2-tetramethylpropane-1,3-diamine?
1-(5-fluoro-2-pyridinyl)-N,N',N',2-tetramethylpropane-1,3-diamine has a molecular weight of 225.31 g/mol, XLogP of 1.68, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-pyridinyl)-N,N',N',2-tetramethylpropane-1,3-diamine is sourced from PubChem (CID 112586269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).