1-(5-fluoro-2-pyridinyl)-N'-methyl-N'-(2-methylpropyl)propane-1,3-diamine

C13H22FN3 — CID 83126002

IUPAC1-(5-fluoro-2-pyridinyl)-N'-methyl-N'-(2-methylpropyl)propane-1,3-diamine
SMILESCC(C)CN(C)CCC(N)c1ccc(F)cn1
InChIInChI=1S/C13H22FN3/c1-10(2)9-17(3)7-6-12(15)13-5-4-11(14)8-16-13/h4-5,8,10,12H,6-7,9,15H2,1-3H3
InChIKeySYWJEXMZGHFPHO-UHFFFAOYSA-N
MW239.34 g/mol
LogP2.20
Rot. Bonds6

About 1-(5-fluoro-2-pyridinyl)-N'-methyl-N'-(2-methylpropyl)propane-1,3-diamine

1-(5-fluoro-2-pyridinyl)-N'-methyl-N'-(2-methylpropyl)propane-1,3-diamine (PubChem CID 83126002) has the molecular formula C13H22FN3 and a molecular weight of 239.34 g/mol. Its IUPAC name is 1-(5-fluoro-2-pyridinyl)-N'-methyl-N'-(2-methylpropyl)propane-1,3-diamine.

Molecular Properties

Compound Name1-(5-fluoro-2-pyridinyl)-N'-methyl-N'-(2-methylpropyl)propane-1,3-diamine
PubChem CID83126002
Molecular FormulaC13H22FN3
Molecular Weight239.34 g/mol
Exact Mass239.18
IUPAC Name1-(5-fluoro-2-pyridinyl)-N'-methyl-N'-(2-methylpropyl)propane-1,3-diamine
SMILESCC(C)CN(C)CCC(N)c1ccc(F)cn1
InChIInChI=1S/C13H22FN3/c1-10(2)9-17(3)7-6-12(15)13-5-4-11(14)8-16-13/h4-5,8,10,12H,6-7,9,15H2,1-3H3
InChIKeySYWJEXMZGHFPHO-UHFFFAOYSA-N
XLogP2.20
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.34
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-fluoro-2-pyridinyl)-N'-(2-methylpropyl)-N'-propan-2-ylpropane-1,3-diamine
CID 83126296
1-(5-fluoro-2-pyridinyl)-N',2-dimethyl-N'-(3-methylbutyl)propane-1,3-diamine
CID 112586326
1-(5-fluoro-2-pyridinyl)-N'-methyl-N'-pentan-3-ylpropane-1,3-diamine
CID 83126711
N'-butan-2-yl-N'-ethyl-1-(5-fluoro-2-pyridinyl)propane-1,3-diamine
CID 83126144
1-(5-fluoro-2-pyridinyl)-N'-(1-methoxypropan-2-yl)-N'-methylpropane-1,3-diamine
CID 83126860
2-[[3-amino-3-(5-fluoro-2-pyridinyl)propyl]-propan-2-ylamino]ethanol
CID 83126362
N'-[(5-chlorothiophen-2-yl)methyl]-1-(5-fluoro-2-pyridinyl)-N'-methylpropane-1,3-diamine
CID 83125936
N'-ethyl-1-(5-fluoro-2-pyridinyl)-N',2-dimethylpropane-1,3-diamine
CID 112586276
2-[[3-amino-3-(5-fluoro-2-pyridinyl)propyl]-ethylamino]ethanol
CID 83125861
1-(5-fluoro-2-pyridinyl)-N',2-dimethyl-N'-(2-methylsulfanylethyl)propane-1,3-diamine
CID 112664627
1-(5-fluoro-2-pyridinyl)tridecan-1-amine
CID 79705681
1-(3-fluorophenyl)-N'-methyl-N'-(2-methylpropyl)propane-1,3-diamine
CID 62643255

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-pyridinyl)-N'-methyl-N'-(2-methylpropyl)propane-1,3-diamine?
The IUPAC name of 1-(5-fluoro-2-pyridinyl)-N'-methyl-N'-(2-methylpropyl)propane-1,3-diamine (CID 83126002) is 1-(5-fluoro-2-pyridinyl)-N'-methyl-N'-(2-methylpropyl)propane-1,3-diamine.
What is the SMILES notation for 1-(5-fluoro-2-pyridinyl)-N'-methyl-N'-(2-methylpropyl)propane-1,3-diamine?
The canonical SMILES for 1-(5-fluoro-2-pyridinyl)-N'-methyl-N'-(2-methylpropyl)propane-1,3-diamine is CC(C)CN(C)CCC(N)c1ccc(F)cn1.
What is the InChIKey of 1-(5-fluoro-2-pyridinyl)-N'-methyl-N'-(2-methylpropyl)propane-1,3-diamine?
The InChIKey is SYWJEXMZGHFPHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22FN3/c1-10(2)9-17(3)7-6-12(15)13-5-4-11(14)8-16-13/h4-5,8,10,12H,6-7,9,15H2,1-3H3.
What are the key properties of 1-(5-fluoro-2-pyridinyl)-N'-methyl-N'-(2-methylpropyl)propane-1,3-diamine?
1-(5-fluoro-2-pyridinyl)-N'-methyl-N'-(2-methylpropyl)propane-1,3-diamine has a molecular weight of 239.34 g/mol, XLogP of 2.20, 6 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'-methyl-N'-(2-methylpropyl)propane-1,3-diamine is sourced from PubChem (CID 83126002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).