N-[(5-fluoro-3-pyridinyl)methyl]-N-methylprop-2-yn-1-amine

C10H11FN2 — CID 130639255

IUPACN-[(5-fluoro-3-pyridinyl)methyl]-N-methylprop-2-yn-1-amine
SMILESC#CCN(C)Cc1cncc(F)c1
InChIInChI=1S/C10H11FN2/c1-3-4-13(2)8-9-5-10(11)7-12-6-9/h1,5-7H,4,8H2,2H3
InChIKeyBNJCOSLTEOKSEQ-UHFFFAOYSA-N
MW178.21 g/mol
LogP1.29
Rot. Bonds3

About N-[(5-fluoro-3-pyridinyl)methyl]-N-methylprop-2-yn-1-amine

N-[(5-fluoro-3-pyridinyl)methyl]-N-methylprop-2-yn-1-amine (PubChem CID 130639255) has the molecular formula C10H11FN2 and a molecular weight of 178.21 g/mol. Its IUPAC name is N-[(5-fluoro-3-pyridinyl)methyl]-N-methylprop-2-yn-1-amine.

Molecular Properties

Compound NameN-[(5-fluoro-3-pyridinyl)methyl]-N-methylprop-2-yn-1-amine
PubChem CID130639255
Molecular FormulaC10H11FN2
Molecular Weight178.21 g/mol
Exact Mass178.09
IUPAC NameN-[(5-fluoro-3-pyridinyl)methyl]-N-methylprop-2-yn-1-amine
SMILESC#CCN(C)Cc1cncc(F)c1
InChIInChI=1S/C10H11FN2/c1-3-4-13(2)8-9-5-10(11)7-12-6-9/h1,5-7H,4,8H2,2H3
InChIKeyBNJCOSLTEOKSEQ-UHFFFAOYSA-N
XLogP1.29
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.21
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(5-fluoro-3-pyridinyl)methyl]-N-methylprop-2-yn-1-amine?
The IUPAC name of N-[(5-fluoro-3-pyridinyl)methyl]-N-methylprop-2-yn-1-amine (CID 130639255) is N-[(5-fluoro-3-pyridinyl)methyl]-N-methylprop-2-yn-1-amine.
What is the SMILES notation for N-[(5-fluoro-3-pyridinyl)methyl]-N-methylprop-2-yn-1-amine?
The canonical SMILES for N-[(5-fluoro-3-pyridinyl)methyl]-N-methylprop-2-yn-1-amine is C#CCN(C)Cc1cncc(F)c1.
What is the InChIKey of N-[(5-fluoro-3-pyridinyl)methyl]-N-methylprop-2-yn-1-amine?
The InChIKey is BNJCOSLTEOKSEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN2/c1-3-4-13(2)8-9-5-10(11)7-12-6-9/h1,5-7H,4,8H2,2H3.
What are the key properties of N-[(5-fluoro-3-pyridinyl)methyl]-N-methylprop-2-yn-1-amine?
N-[(5-fluoro-3-pyridinyl)methyl]-N-methylprop-2-yn-1-amine has a molecular weight of 178.21 g/mol, XLogP of 1.29, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-fluoro-3-pyridinyl)methyl]-N-methylprop-2-yn-1-amine is sourced from PubChem (CID 130639255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).