1-(5-fluoro-2-pyridinyl)-N'-methyl-N'-pentan-3-ylpropane-1,3-diamine

C14H24FN3 — CID 83126711

IUPAC1-(5-fluoro-2-pyridinyl)-N'-methyl-N'-pentan-3-ylpropane-1,3-diamine
SMILESCCC(CC)N(C)CCC(N)c1ccc(F)cn1
InChIInChI=1S/C14H24FN3/c1-4-12(5-2)18(3)9-8-13(16)14-7-6-11(15)10-17-14/h6-7,10,12-13H,4-5,8-9,16H2,1-3H3
InChIKeyNOMJTXCPRRFKHM-UHFFFAOYSA-N
MW253.36 g/mol
LogP2.73
Rot. Bonds7

About 1-(5-fluoro-2-pyridinyl)-N'-methyl-N'-pentan-3-ylpropane-1,3-diamine

1-(5-fluoro-2-pyridinyl)-N'-methyl-N'-pentan-3-ylpropane-1,3-diamine (PubChem CID 83126711) has the molecular formula C14H24FN3 and a molecular weight of 253.36 g/mol. Its IUPAC name is 1-(5-fluoro-2-pyridinyl)-N'-methyl-N'-pentan-3-ylpropane-1,3-diamine.

Molecular Properties

Compound Name1-(5-fluoro-2-pyridinyl)-N'-methyl-N'-pentan-3-ylpropane-1,3-diamine
PubChem CID83126711
Molecular FormulaC14H24FN3
Molecular Weight253.36 g/mol
Exact Mass253.20
IUPAC Name1-(5-fluoro-2-pyridinyl)-N'-methyl-N'-pentan-3-ylpropane-1,3-diamine
SMILESCCC(CC)N(C)CCC(N)c1ccc(F)cn1
InChIInChI=1S/C14H24FN3/c1-4-12(5-2)18(3)9-8-13(16)14-7-6-11(15)10-17-14/h6-7,10,12-13H,4-5,8-9,16H2,1-3H3
InChIKeyNOMJTXCPRRFKHM-UHFFFAOYSA-N
XLogP2.73
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.36
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-pyridinyl)-N'-methyl-N'-pentan-3-ylpropane-1,3-diamine?
The IUPAC name of 1-(5-fluoro-2-pyridinyl)-N'-methyl-N'-pentan-3-ylpropane-1,3-diamine (CID 83126711) is 1-(5-fluoro-2-pyridinyl)-N'-methyl-N'-pentan-3-ylpropane-1,3-diamine.
What is the SMILES notation for 1-(5-fluoro-2-pyridinyl)-N'-methyl-N'-pentan-3-ylpropane-1,3-diamine?
The canonical SMILES for 1-(5-fluoro-2-pyridinyl)-N'-methyl-N'-pentan-3-ylpropane-1,3-diamine is CCC(CC)N(C)CCC(N)c1ccc(F)cn1.
What is the InChIKey of 1-(5-fluoro-2-pyridinyl)-N'-methyl-N'-pentan-3-ylpropane-1,3-diamine?
The InChIKey is NOMJTXCPRRFKHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24FN3/c1-4-12(5-2)18(3)9-8-13(16)14-7-6-11(15)10-17-14/h6-7,10,12-13H,4-5,8-9,16H2,1-3H3.
What are the key properties of 1-(5-fluoro-2-pyridinyl)-N'-methyl-N'-pentan-3-ylpropane-1,3-diamine?
1-(5-fluoro-2-pyridinyl)-N'-methyl-N'-pentan-3-ylpropane-1,3-diamine has a molecular weight of 253.36 g/mol, XLogP of 2.73, 7 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'-pentan-3-ylpropane-1,3-diamine is sourced from PubChem (CID 83126711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).