N'-(3-fluoro-2-pyridinyl)-N'-propan-2-ylpropane-1,3-diamine

C11H18FN3 — CID 62734529

IUPACN'-(3-fluoro-2-pyridinyl)-N'-propan-2-ylpropane-1,3-diamine
SMILESCC(C)N(CCCN)c1ncccc1F
InChIInChI=1S/C11H18FN3/c1-9(2)15(8-4-6-13)11-10(12)5-3-7-14-11/h3,5,7,9H,4,6,8,13H2,1-2H3
InChIKeyCMFFGBDNRRFKFS-UHFFFAOYSA-N
MW211.28 g/mol
LogP1.78
Rot. Bonds5

About N'-(3-fluoro-2-pyridinyl)-N'-propan-2-ylpropane-1,3-diamine

N'-(3-fluoro-2-pyridinyl)-N'-propan-2-ylpropane-1,3-diamine (PubChem CID 62734529) has the molecular formula C11H18FN3 and a molecular weight of 211.28 g/mol. Its IUPAC name is N'-(3-fluoro-2-pyridinyl)-N'-propan-2-ylpropane-1,3-diamine.

Molecular Properties

Compound NameN'-(3-fluoro-2-pyridinyl)-N'-propan-2-ylpropane-1,3-diamine
PubChem CID62734529
Molecular FormulaC11H18FN3
Molecular Weight211.28 g/mol
Exact Mass211.15
IUPAC NameN'-(3-fluoro-2-pyridinyl)-N'-propan-2-ylpropane-1,3-diamine
SMILESCC(C)N(CCCN)c1ncccc1F
InChIInChI=1S/C11H18FN3/c1-9(2)15(8-4-6-13)11-10(12)5-3-7-14-11/h3,5,7,9H,4,6,8,13H2,1-2H3
InChIKeyCMFFGBDNRRFKFS-UHFFFAOYSA-N
XLogP1.78
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.28
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N'-(3-fluoro-2-pyridinyl)-N'-propan-2-ylpropane-1,3-diamine?
The IUPAC name of N'-(3-fluoro-2-pyridinyl)-N'-propan-2-ylpropane-1,3-diamine (CID 62734529) is N'-(3-fluoro-2-pyridinyl)-N'-propan-2-ylpropane-1,3-diamine.
What is the SMILES notation for N'-(3-fluoro-2-pyridinyl)-N'-propan-2-ylpropane-1,3-diamine?
The canonical SMILES for N'-(3-fluoro-2-pyridinyl)-N'-propan-2-ylpropane-1,3-diamine is CC(C)N(CCCN)c1ncccc1F.
What is the InChIKey of N'-(3-fluoro-2-pyridinyl)-N'-propan-2-ylpropane-1,3-diamine?
The InChIKey is CMFFGBDNRRFKFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18FN3/c1-9(2)15(8-4-6-13)11-10(12)5-3-7-14-11/h3,5,7,9H,4,6,8,13H2,1-2H3.
What are the key properties of N'-(3-fluoro-2-pyridinyl)-N'-propan-2-ylpropane-1,3-diamine?
N'-(3-fluoro-2-pyridinyl)-N'-propan-2-ylpropane-1,3-diamine has a molecular weight of 211.28 g/mol, XLogP of 1.78, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-fluoro-2-pyridinyl)-N'-propan-2-ylpropane-1,3-diamine is sourced from PubChem (CID 62734529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).