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

C9H14FN3 — CID 61311958

IUPACN'-(5-fluoro-2-pyridinyl)-N'-methylpropane-1,3-diamine
SMILESCN(CCCN)c1ccc(F)cn1
InChIInChI=1S/C9H14FN3/c1-13(6-2-5-11)9-4-3-8(10)7-12-9/h3-4,7H,2,5-6,11H2,1H3
InChIKeyHMTDIVJRVNMXMR-UHFFFAOYSA-N
MW183.23 g/mol
LogP1.01
Rot. Bonds4

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

N'-(5-fluoro-2-pyridinyl)-N'-methylpropane-1,3-diamine (PubChem CID 61311958) has the molecular formula C9H14FN3 and a molecular weight of 183.23 g/mol. Its IUPAC name is N'-(5-fluoro-2-pyridinyl)-N'-methylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-(5-fluoro-2-pyridinyl)-N'-methylpropane-1,3-diamine
PubChem CID61311958
Molecular FormulaC9H14FN3
Molecular Weight183.23 g/mol
Exact Mass183.12
IUPAC NameN'-(5-fluoro-2-pyridinyl)-N'-methylpropane-1,3-diamine
SMILESCN(CCCN)c1ccc(F)cn1
InChIInChI=1S/C9H14FN3/c1-13(6-2-5-11)9-4-3-8(10)7-12-9/h3-4,7H,2,5-6,11H2,1H3
InChIKeyHMTDIVJRVNMXMR-UHFFFAOYSA-N
XLogP1.01
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.23
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N'-(5-fluoro-2-pyridinyl)-N'-methylethane-1,2-diamine
CID 62593517
4-[(5-fluoro-2-pyridinyl)-methylamino]butanoic acid
CID 83835208
N'-methyl-N'-(5-methyl-2-pyridinyl)pentane-1,5-diamine
CID 107206914
N'-(3,5-difluoro-2-pyridinyl)-N'-methylpropane-1,3-diamine
CID 112675382
N'-(5-tert-butyl-2-pyridinyl)-N'-methylpentane-1,5-diamine
CID 107875723
1-(5-fluoro-2-pyridinyl)-1-methylhydrazine
CID 53403009
N'-(5-fluoro-2-pyridinyl)-N'-propylethane-1,2-diamine
CID 63766650
N'-(5-tert-butyl-2-pyridinyl)-N'-methylethane-1,2-diamine
CID 107875067
N'-methyl-N'-pyridin-2-ylpropane-1,3-diamine;dihydrochloride
CID 134690924
N'-(5-chloro-2-pyridinyl)-N'-(4-fluorophenyl)propane-1,3-diamine
CID 60871203
N'-(6-chloropyridazin-3-yl)-N'-methylpropane-1,3-diamine
CID 115319396
3-[(5-fluoro-2-pyridinyl)-methylamino]-N'-hydroxy-2-methylpropanimidamide
CID 76910802

Frequently Asked Questions

What is the IUPAC name of N'-(5-fluoro-2-pyridinyl)-N'-methylpropane-1,3-diamine?
The IUPAC name of N'-(5-fluoro-2-pyridinyl)-N'-methylpropane-1,3-diamine (CID 61311958) is N'-(5-fluoro-2-pyridinyl)-N'-methylpropane-1,3-diamine.
What is the SMILES notation for N'-(5-fluoro-2-pyridinyl)-N'-methylpropane-1,3-diamine?
The canonical SMILES for N'-(5-fluoro-2-pyridinyl)-N'-methylpropane-1,3-diamine is CN(CCCN)c1ccc(F)cn1.
What is the InChIKey of N'-(5-fluoro-2-pyridinyl)-N'-methylpropane-1,3-diamine?
The InChIKey is HMTDIVJRVNMXMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14FN3/c1-13(6-2-5-11)9-4-3-8(10)7-12-9/h3-4,7H,2,5-6,11H2,1H3.
What are the key properties of N'-(5-fluoro-2-pyridinyl)-N'-methylpropane-1,3-diamine?
N'-(5-fluoro-2-pyridinyl)-N'-methylpropane-1,3-diamine has a molecular weight of 183.23 g/mol, XLogP of 1.01, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-fluoro-2-pyridinyl)-N'-methylpropane-1,3-diamine is sourced from PubChem (CID 61311958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).