1-(5-fluoro-2-pyridinyl)-2-methyl-N-propan-2-ylprop-2-en-1-amine

C12H17FN2 — CID 79712685

IUPAC1-(5-fluoro-2-pyridinyl)-2-methyl-N-propan-2-ylprop-2-en-1-amine
SMILESC=C(C)C(NC(C)C)c1ccc(F)cn1
InChIInChI=1S/C12H17FN2/c1-8(2)12(15-9(3)4)11-6-5-10(13)7-14-11/h5-7,9,12,15H,1H2,2-4H3
InChIKeyWWONPTFXKRCQQG-UHFFFAOYSA-N
MW208.28 g/mol
LogP2.84
Rot. Bonds4

About 1-(5-fluoro-2-pyridinyl)-2-methyl-N-propan-2-ylprop-2-en-1-amine

1-(5-fluoro-2-pyridinyl)-2-methyl-N-propan-2-ylprop-2-en-1-amine (PubChem CID 79712685) has the molecular formula C12H17FN2 and a molecular weight of 208.28 g/mol. Its IUPAC name is 1-(5-fluoro-2-pyridinyl)-2-methyl-N-propan-2-ylprop-2-en-1-amine.

Molecular Properties

Compound Name1-(5-fluoro-2-pyridinyl)-2-methyl-N-propan-2-ylprop-2-en-1-amine
PubChem CID79712685
Molecular FormulaC12H17FN2
Molecular Weight208.28 g/mol
Exact Mass208.14
IUPAC Name1-(5-fluoro-2-pyridinyl)-2-methyl-N-propan-2-ylprop-2-en-1-amine
SMILESC=C(C)C(NC(C)C)c1ccc(F)cn1
InChIInChI=1S/C12H17FN2/c1-8(2)12(15-9(3)4)11-6-5-10(13)7-14-11/h5-7,9,12,15H,1H2,2-4H3
InChIKeyWWONPTFXKRCQQG-UHFFFAOYSA-N
XLogP2.84
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.28
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-pyridinyl)-2-methyl-N-propan-2-ylprop-2-en-1-amine?
The IUPAC name of 1-(5-fluoro-2-pyridinyl)-2-methyl-N-propan-2-ylprop-2-en-1-amine (CID 79712685) is 1-(5-fluoro-2-pyridinyl)-2-methyl-N-propan-2-ylprop-2-en-1-amine.
What is the SMILES notation for 1-(5-fluoro-2-pyridinyl)-2-methyl-N-propan-2-ylprop-2-en-1-amine?
The canonical SMILES for 1-(5-fluoro-2-pyridinyl)-2-methyl-N-propan-2-ylprop-2-en-1-amine is C=C(C)C(NC(C)C)c1ccc(F)cn1.
What is the InChIKey of 1-(5-fluoro-2-pyridinyl)-2-methyl-N-propan-2-ylprop-2-en-1-amine?
The InChIKey is WWONPTFXKRCQQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2/c1-8(2)12(15-9(3)4)11-6-5-10(13)7-14-11/h5-7,9,12,15H,1H2,2-4H3.
What are the key properties of 1-(5-fluoro-2-pyridinyl)-2-methyl-N-propan-2-ylprop-2-en-1-amine?
1-(5-fluoro-2-pyridinyl)-2-methyl-N-propan-2-ylprop-2-en-1-amine has a molecular weight of 208.28 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-pyridinyl)-2-methyl-N-propan-2-ylprop-2-en-1-amine is sourced from PubChem (CID 79712685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).