N-[1-(3-fluoro-4-pyridinyl)ethyl]but-2-yn-1-amine

C11H13FN2 — CID 130616226

IUPACN-[1-(3-fluoro-4-pyridinyl)ethyl]but-2-yn-1-amine
SMILESCC#CCNC(C)c1ccncc1F
InChIInChI=1S/C11H13FN2/c1-3-4-6-14-9(2)10-5-7-13-8-11(10)12/h5,7-9,14H,6H2,1-2H3
InChIKeyQROAKSBKGOFIHI-UHFFFAOYSA-N
MW192.24 g/mol
LogP1.89
Rot. Bonds3

About N-[1-(3-fluoro-4-pyridinyl)ethyl]but-2-yn-1-amine

N-[1-(3-fluoro-4-pyridinyl)ethyl]but-2-yn-1-amine (PubChem CID 130616226) has the molecular formula C11H13FN2 and a molecular weight of 192.24 g/mol. Its IUPAC name is N-[1-(3-fluoro-4-pyridinyl)ethyl]but-2-yn-1-amine.

Molecular Properties

Compound NameN-[1-(3-fluoro-4-pyridinyl)ethyl]but-2-yn-1-amine
PubChem CID130616226
Molecular FormulaC11H13FN2
Molecular Weight192.24 g/mol
Exact Mass192.11
IUPAC NameN-[1-(3-fluoro-4-pyridinyl)ethyl]but-2-yn-1-amine
SMILESCC#CCNC(C)c1ccncc1F
InChIInChI=1S/C11H13FN2/c1-3-4-6-14-9(2)10-5-7-13-8-11(10)12/h5,7-9,14H,6H2,1-2H3
InChIKeyQROAKSBKGOFIHI-UHFFFAOYSA-N
XLogP1.89
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.24
LogP ≤ 51.89
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

(1R)-1-(3-fluoro-4-pyridinyl)-N-[(2,4,6-trimethylphenyl)methyl]ethanamine
CID 124852535
3-(3-fluoro-4-pyridinyl)-N-propan-2-ylbutan-1-amine
CID 104739416
1-(3-fluoro-4-pyridinyl)ethanethiol
CID 89277032
2-(3-fluoro-4-pyridinyl)propan-1-amine
CID 84649949
N-ethyl-3-(3-fluoro-4-pyridinyl)butan-1-amine
CID 104739414
2-(3-fluoro-4-pyridinyl)propan-1-amine;hydrochloride
CID 84662951
4-(3-bromobutan-2-yl)-3-fluoropyridine
CID 104738939
N-ethyl-1-(3-fluoro-4-pyridinyl)-3,5-dimethylhexan-1-amine
CID 114200992
1-(3-fluoro-4-pyridinyl)butane-1,2-diol
CID 103454633
N-but-2-ynyl-2-methyl-1-pyridin-3-ylpropan-1-amine
CID 115898770
1-(3-fluoro-4-pyridinyl)-2-methoxy-3-methyl-N-propylbutan-1-amine
CID 116720684
4-bromo-2-[1-(but-2-ynylamino)ethyl]-6-fluorophenol
CID 104583639

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-fluoro-4-pyridinyl)ethyl]but-2-yn-1-amine?
The IUPAC name of N-[1-(3-fluoro-4-pyridinyl)ethyl]but-2-yn-1-amine (CID 130616226) is N-[1-(3-fluoro-4-pyridinyl)ethyl]but-2-yn-1-amine.
What is the SMILES notation for N-[1-(3-fluoro-4-pyridinyl)ethyl]but-2-yn-1-amine?
The canonical SMILES for N-[1-(3-fluoro-4-pyridinyl)ethyl]but-2-yn-1-amine is CC#CCNC(C)c1ccncc1F.
What is the InChIKey of N-[1-(3-fluoro-4-pyridinyl)ethyl]but-2-yn-1-amine?
The InChIKey is QROAKSBKGOFIHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2/c1-3-4-6-14-9(2)10-5-7-13-8-11(10)12/h5,7-9,14H,6H2,1-2H3.
What are the key properties of N-[1-(3-fluoro-4-pyridinyl)ethyl]but-2-yn-1-amine?
N-[1-(3-fluoro-4-pyridinyl)ethyl]but-2-yn-1-amine has a molecular weight of 192.24 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-fluoro-4-pyridinyl)ethyl]but-2-yn-1-amine is sourced from PubChem (CID 130616226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).