N-[1-(5-fluoro-2-pyridinyl)propyl]but-2-yn-1-amine

C12H15FN2 — CID 115975737

IUPACN-[1-(5-fluoro-2-pyridinyl)propyl]but-2-yn-1-amine
SMILESCC#CCNC(CC)c1ccc(F)cn1
InChIInChI=1S/C12H15FN2/c1-3-5-8-14-11(4-2)12-7-6-10(13)9-15-12/h6-7,9,11,14H,4,8H2,1-2H3
InChIKeyPVEIMGCJIVWSTB-UHFFFAOYSA-N
MW206.26 g/mol
LogP2.28
Rot. Bonds4

About N-[1-(5-fluoro-2-pyridinyl)propyl]but-2-yn-1-amine

N-[1-(5-fluoro-2-pyridinyl)propyl]but-2-yn-1-amine (PubChem CID 115975737) has the molecular formula C12H15FN2 and a molecular weight of 206.26 g/mol. Its IUPAC name is N-[1-(5-fluoro-2-pyridinyl)propyl]but-2-yn-1-amine.

Molecular Properties

Compound NameN-[1-(5-fluoro-2-pyridinyl)propyl]but-2-yn-1-amine
PubChem CID115975737
Molecular FormulaC12H15FN2
Molecular Weight206.26 g/mol
Exact Mass206.12
IUPAC NameN-[1-(5-fluoro-2-pyridinyl)propyl]but-2-yn-1-amine
SMILESCC#CCNC(CC)c1ccc(F)cn1
InChIInChI=1S/C12H15FN2/c1-3-5-8-14-11(4-2)12-7-6-10(13)9-15-12/h6-7,9,11,14H,4,8H2,1-2H3
InChIKeyPVEIMGCJIVWSTB-UHFFFAOYSA-N
XLogP2.28
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.26
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[1-(5-fluoro-2-pyridinyl)ethyl]but-2-yn-1-amine
CID 115896973
N-(2,2-dimethoxyethyl)-1-(5-fluoro-2-pyridinyl)propan-1-amine
CID 112583006
N-[1-(5-fluoro-2-pyridinyl)propyl]-3,3-dimethylbutan-1-amine
CID 113356846
3-[1-(5-fluoro-2-pyridinyl)propylamino]-2-methylpropan-1-ol
CID 112583184
3-[[1-(5-fluoro-2-pyridinyl)propylamino]methyl]pentan-1-ol
CID 112583235
N-(2-ethoxypropyl)-1-(5-fluoro-2-pyridinyl)propan-1-amine
CID 113356923
N-ethyl-2-[1-(5-fluoro-2-pyridinyl)propylamino]acetamide
CID 112582962
1-(5-fluoro-2-pyridinyl)-N-[(5-methylthiophen-2-yl)methyl]propan-1-amine
CID 112583097
1-(5-fluoro-2-pyridinyl)-N-[(1-methylcyclopentyl)methyl]propan-1-amine
CID 112583142
2-[1-(5-fluoro-2-pyridinyl)propylamino]ethanesulfonamide
CID 112582959
N-cyclopropyl-2-[1-(5-fluoro-2-pyridinyl)propylamino]acetamide
CID 112582965
1-(5-fluoro-2-pyridinyl)-N-(3-methylsulfinylpropyl)propan-1-amine
CID 113356899

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-fluoro-2-pyridinyl)propyl]but-2-yn-1-amine?
The IUPAC name of N-[1-(5-fluoro-2-pyridinyl)propyl]but-2-yn-1-amine (CID 115975737) is N-[1-(5-fluoro-2-pyridinyl)propyl]but-2-yn-1-amine.
What is the SMILES notation for N-[1-(5-fluoro-2-pyridinyl)propyl]but-2-yn-1-amine?
The canonical SMILES for N-[1-(5-fluoro-2-pyridinyl)propyl]but-2-yn-1-amine is CC#CCNC(CC)c1ccc(F)cn1.
What is the InChIKey of N-[1-(5-fluoro-2-pyridinyl)propyl]but-2-yn-1-amine?
The InChIKey is PVEIMGCJIVWSTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2/c1-3-5-8-14-11(4-2)12-7-6-10(13)9-15-12/h6-7,9,11,14H,4,8H2,1-2H3.
What are the key properties of N-[1-(5-fluoro-2-pyridinyl)propyl]but-2-yn-1-amine?
N-[1-(5-fluoro-2-pyridinyl)propyl]but-2-yn-1-amine has a molecular weight of 206.26 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-fluoro-2-pyridinyl)propyl]but-2-yn-1-amine is sourced from PubChem (CID 115975737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).