N'-(6-fluoro-3-pyridinyl)-N'-(2-methoxypropyl)-N-methylethane-1,2-diamine

C12H20FN3O — CID 143921945

IUPACN'-(6-fluoro-3-pyridinyl)-N'-(2-methoxypropyl)-N-methylethane-1,2-diamine
SMILESCNCCN(CC(C)OC)c1ccc(F)nc1
InChIInChI=1S/C12H20FN3O/c1-10(17-3)9-16(7-6-14-2)11-4-5-12(13)15-8-11/h4-5,8,10,14H,6-7,9H2,1-3H3
InChIKeyISUJIWFOWOQXRG-UHFFFAOYSA-N
MW241.31 g/mol
LogP1.28
Rot. Bonds7

About N'-(6-fluoro-3-pyridinyl)-N'-(2-methoxypropyl)-N-methylethane-1,2-diamine

N'-(6-fluoro-3-pyridinyl)-N'-(2-methoxypropyl)-N-methylethane-1,2-diamine (PubChem CID 143921945) has the molecular formula C12H20FN3O and a molecular weight of 241.31 g/mol. Its IUPAC name is N'-(6-fluoro-3-pyridinyl)-N'-(2-methoxypropyl)-N-methylethane-1,2-diamine.

Molecular Properties

Compound NameN'-(6-fluoro-3-pyridinyl)-N'-(2-methoxypropyl)-N-methylethane-1,2-diamine
PubChem CID143921945
Molecular FormulaC12H20FN3O
Molecular Weight241.31 g/mol
Exact Mass241.16
IUPAC NameN'-(6-fluoro-3-pyridinyl)-N'-(2-methoxypropyl)-N-methylethane-1,2-diamine
SMILESCNCCN(CC(C)OC)c1ccc(F)nc1
InChIInChI=1S/C12H20FN3O/c1-10(17-3)9-16(7-6-14-2)11-4-5-12(13)15-8-11/h4-5,8,10,14H,6-7,9H2,1-3H3
InChIKeyISUJIWFOWOQXRG-UHFFFAOYSA-N
XLogP1.28
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.31
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-(6-fluoro-3-pyridinyl)-N'-(2-methoxypropyl)-N-methylethane-1,2-diamine?
The IUPAC name of N'-(6-fluoro-3-pyridinyl)-N'-(2-methoxypropyl)-N-methylethane-1,2-diamine (CID 143921945) is N'-(6-fluoro-3-pyridinyl)-N'-(2-methoxypropyl)-N-methylethane-1,2-diamine.
What is the SMILES notation for N'-(6-fluoro-3-pyridinyl)-N'-(2-methoxypropyl)-N-methylethane-1,2-diamine?
The canonical SMILES for N'-(6-fluoro-3-pyridinyl)-N'-(2-methoxypropyl)-N-methylethane-1,2-diamine is CNCCN(CC(C)OC)c1ccc(F)nc1.
What is the InChIKey of N'-(6-fluoro-3-pyridinyl)-N'-(2-methoxypropyl)-N-methylethane-1,2-diamine?
The InChIKey is ISUJIWFOWOQXRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20FN3O/c1-10(17-3)9-16(7-6-14-2)11-4-5-12(13)15-8-11/h4-5,8,10,14H,6-7,9H2,1-3H3.
What are the key properties of N'-(6-fluoro-3-pyridinyl)-N'-(2-methoxypropyl)-N-methylethane-1,2-diamine?
N'-(6-fluoro-3-pyridinyl)-N'-(2-methoxypropyl)-N-methylethane-1,2-diamine has a molecular weight of 241.31 g/mol, XLogP of 1.28, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(6-fluoro-3-pyridinyl)-N'-(2-methoxypropyl)-N-methylethane-1,2-diamine is sourced from PubChem (CID 143921945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).