N'-ethyl-N'-(3-fluoro-2-pyridinyl)-2,2-dimethylpropane-1,3-diamine

C12H20FN3 — CID 79661860

IUPACN'-ethyl-N'-(3-fluoro-2-pyridinyl)-2,2-dimethylpropane-1,3-diamine
SMILESCCN(CC(C)(C)CN)c1ncccc1F
InChIInChI=1S/C12H20FN3/c1-4-16(9-12(2,3)8-14)11-10(13)6-5-7-15-11/h5-7H,4,8-9,14H2,1-3H3
InChIKeyPLIFFTSPBRYCGJ-UHFFFAOYSA-N
MW225.31 g/mol
LogP2.03
Rot. Bonds5

About N'-ethyl-N'-(3-fluoro-2-pyridinyl)-2,2-dimethylpropane-1,3-diamine

N'-ethyl-N'-(3-fluoro-2-pyridinyl)-2,2-dimethylpropane-1,3-diamine (PubChem CID 79661860) has the molecular formula C12H20FN3 and a molecular weight of 225.31 g/mol. Its IUPAC name is N'-ethyl-N'-(3-fluoro-2-pyridinyl)-2,2-dimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-ethyl-N'-(3-fluoro-2-pyridinyl)-2,2-dimethylpropane-1,3-diamine
PubChem CID79661860
Molecular FormulaC12H20FN3
Molecular Weight225.31 g/mol
Exact Mass225.16
IUPAC NameN'-ethyl-N'-(3-fluoro-2-pyridinyl)-2,2-dimethylpropane-1,3-diamine
SMILESCCN(CC(C)(C)CN)c1ncccc1F
InChIInChI=1S/C12H20FN3/c1-4-16(9-12(2,3)8-14)11-10(13)6-5-7-15-11/h5-7H,4,8-9,14H2,1-3H3
InChIKeyPLIFFTSPBRYCGJ-UHFFFAOYSA-N
XLogP2.03
TPSA42.15 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 ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N'-ethyl-N'-(3-fluoro-2-pyridinyl)-2,2-dimethylpropane-1,3-diamine?
The IUPAC name of N'-ethyl-N'-(3-fluoro-2-pyridinyl)-2,2-dimethylpropane-1,3-diamine (CID 79661860) is N'-ethyl-N'-(3-fluoro-2-pyridinyl)-2,2-dimethylpropane-1,3-diamine.
What is the SMILES notation for N'-ethyl-N'-(3-fluoro-2-pyridinyl)-2,2-dimethylpropane-1,3-diamine?
The canonical SMILES for N'-ethyl-N'-(3-fluoro-2-pyridinyl)-2,2-dimethylpropane-1,3-diamine is CCN(CC(C)(C)CN)c1ncccc1F.
What is the InChIKey of N'-ethyl-N'-(3-fluoro-2-pyridinyl)-2,2-dimethylpropane-1,3-diamine?
The InChIKey is PLIFFTSPBRYCGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20FN3/c1-4-16(9-12(2,3)8-14)11-10(13)6-5-7-15-11/h5-7H,4,8-9,14H2,1-3H3.
What are the key properties of N'-ethyl-N'-(3-fluoro-2-pyridinyl)-2,2-dimethylpropane-1,3-diamine?
N'-ethyl-N'-(3-fluoro-2-pyridinyl)-2,2-dimethylpropane-1,3-diamine has a molecular weight of 225.31 g/mol, XLogP of 2.03, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-N'-(3-fluoro-2-pyridinyl)-2,2-dimethylpropane-1,3-diamine is sourced from PubChem (CID 79661860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).