5-[(3-fluoropropylamino)methyl]-N,N-dimethylpyridin-2-amine

C11H18FN3 — CID 115768245

IUPAC5-[(3-fluoropropylamino)methyl]-N,N-dimethylpyridin-2-amine
SMILESCN(C)c1ccc(CNCCCF)cn1
InChIInChI=1S/C11H18FN3/c1-15(2)11-5-4-10(9-14-11)8-13-7-3-6-12/h4-5,9,13H,3,6-8H2,1-2H3
InChIKeyTYQYFXRYWDEHOV-UHFFFAOYSA-N
MW211.28 g/mol
LogP1.60
Rot. Bonds6

About 5-[(3-fluoropropylamino)methyl]-N,N-dimethylpyridin-2-amine

5-[(3-fluoropropylamino)methyl]-N,N-dimethylpyridin-2-amine (PubChem CID 115768245) has the molecular formula C11H18FN3 and a molecular weight of 211.28 g/mol. Its IUPAC name is 5-[(3-fluoropropylamino)methyl]-N,N-dimethylpyridin-2-amine.

Molecular Properties

Compound Name5-[(3-fluoropropylamino)methyl]-N,N-dimethylpyridin-2-amine
PubChem CID115768245
Molecular FormulaC11H18FN3
Molecular Weight211.28 g/mol
Exact Mass211.15
IUPAC Name5-[(3-fluoropropylamino)methyl]-N,N-dimethylpyridin-2-amine
SMILESCN(C)c1ccc(CNCCCF)cn1
InChIInChI=1S/C11H18FN3/c1-15(2)11-5-4-10(9-14-11)8-13-7-3-6-12/h4-5,9,13H,3,6-8H2,1-2H3
InChIKeyTYQYFXRYWDEHOV-UHFFFAOYSA-N
XLogP1.60
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.28
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[(3-fluoropropylamino)methyl]-N,N-dimethylpyridin-2-amine?
The IUPAC name of 5-[(3-fluoropropylamino)methyl]-N,N-dimethylpyridin-2-amine (CID 115768245) is 5-[(3-fluoropropylamino)methyl]-N,N-dimethylpyridin-2-amine.
What is the SMILES notation for 5-[(3-fluoropropylamino)methyl]-N,N-dimethylpyridin-2-amine?
The canonical SMILES for 5-[(3-fluoropropylamino)methyl]-N,N-dimethylpyridin-2-amine is CN(C)c1ccc(CNCCCF)cn1.
What is the InChIKey of 5-[(3-fluoropropylamino)methyl]-N,N-dimethylpyridin-2-amine?
The InChIKey is TYQYFXRYWDEHOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18FN3/c1-15(2)11-5-4-10(9-14-11)8-13-7-3-6-12/h4-5,9,13H,3,6-8H2,1-2H3.
What are the key properties of 5-[(3-fluoropropylamino)methyl]-N,N-dimethylpyridin-2-amine?
5-[(3-fluoropropylamino)methyl]-N,N-dimethylpyridin-2-amine has a molecular weight of 211.28 g/mol, XLogP of 1.60, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-fluoropropylamino)methyl]-N,N-dimethylpyridin-2-amine is sourced from PubChem (CID 115768245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).