acetylene;N-[(E)-but-2-en-2-yl]-4-[(E)-3-fluoroprop-1-enyl]-1,2,3,6-tetrahydropyridin-5-amine

C14H21FN2 — CID 142240042

IUPACacetylene;N-[(E)-but-2-en-2-yl]-4-[(E)-3-fluoroprop-1-enyl]-1,2,3,6-tetrahydropyridin-5-amine
SMILESC#C.C/C=C(\C)NC1=C(/C=C/CF)CCNC1
InChIInChI=1S/C12H19FN2.C2H2/c1-3-10(2)15-12-9-14-8-6-11(12)5-4-7-13;1-2/h3-5,14-15H,6-9H2,1-2H3;1-2H/b5-4+,10-3+;
InChIKeyRDJXSVSUHDSYLM-RZOJEWCCSA-N
MW236.33 g/mol
LogP2.52
Rot. Bonds4

About acetylene;N-[(E)-but-2-en-2-yl]-4-[(E)-3-fluoroprop-1-enyl]-1,2,3,6-tetrahydropyridin-5-amine

acetylene;N-[(E)-but-2-en-2-yl]-4-[(E)-3-fluoroprop-1-enyl]-1,2,3,6-tetrahydropyridin-5-amine (PubChem CID 142240042) has the molecular formula C14H21FN2 and a molecular weight of 236.33 g/mol. Its IUPAC name is acetylene;N-[(E)-but-2-en-2-yl]-4-[(E)-3-fluoroprop-1-enyl]-1,2,3,6-tetrahydropyridin-5-amine.

Molecular Properties

Compound Nameacetylene;N-[(E)-but-2-en-2-yl]-4-[(E)-3-fluoroprop-1-enyl]-1,2,3,6-tetrahydropyridin-5-amine
PubChem CID142240042
Molecular FormulaC14H21FN2
Molecular Weight236.33 g/mol
Exact Mass236.17
IUPAC Nameacetylene;N-[(E)-but-2-en-2-yl]-4-[(E)-3-fluoroprop-1-enyl]-1,2,3,6-tetrahydropyridin-5-amine
SMILESC#C.C/C=C(\C)NC1=C(/C=C/CF)CCNC1
InChIInChI=1S/C12H19FN2.C2H2/c1-3-10(2)15-12-9-14-8-6-11(12)5-4-7-13;1-2/h3-5,14-15H,6-9H2,1-2H3;1-2H/b5-4+,10-3+;
InChIKeyRDJXSVSUHDSYLM-RZOJEWCCSA-N
XLogP2.52
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.33
LogP ≤ 52.52
H-Bond Donors ≤ 52
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 acetylene;N-[(E)-but-2-en-2-yl]-4-[(E)-3-fluoroprop-1-enyl]-1,2,3,6-tetrahydropyridin-5-amine?
The IUPAC name of acetylene;N-[(E)-but-2-en-2-yl]-4-[(E)-3-fluoroprop-1-enyl]-1,2,3,6-tetrahydropyridin-5-amine (CID 142240042) is acetylene;N-[(E)-but-2-en-2-yl]-4-[(E)-3-fluoroprop-1-enyl]-1,2,3,6-tetrahydropyridin-5-amine.
What is the SMILES notation for acetylene;N-[(E)-but-2-en-2-yl]-4-[(E)-3-fluoroprop-1-enyl]-1,2,3,6-tetrahydropyridin-5-amine?
The canonical SMILES for acetylene;N-[(E)-but-2-en-2-yl]-4-[(E)-3-fluoroprop-1-enyl]-1,2,3,6-tetrahydropyridin-5-amine is C#C.C/C=C(\C)NC1=C(/C=C/CF)CCNC1.
What is the InChIKey of acetylene;N-[(E)-but-2-en-2-yl]-4-[(E)-3-fluoroprop-1-enyl]-1,2,3,6-tetrahydropyridin-5-amine?
The InChIKey is RDJXSVSUHDSYLM-RZOJEWCCSA-N. The full InChI is InChI=1S/C12H19FN2.C2H2/c1-3-10(2)15-12-9-14-8-6-11(12)5-4-7-13;1-2/h3-5,14-15H,6-9H2,1-2H3;1-2H/b5-4+,10-3+;.
What are the key properties of acetylene;N-[(E)-but-2-en-2-yl]-4-[(E)-3-fluoroprop-1-enyl]-1,2,3,6-tetrahydropyridin-5-amine?
acetylene;N-[(E)-but-2-en-2-yl]-4-[(E)-3-fluoroprop-1-enyl]-1,2,3,6-tetrahydropyridin-5-amine has a molecular weight of 236.33 g/mol, XLogP of 2.52, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for acetylene;N-[(E)-but-2-en-2-yl]-4-[(E)-3-fluoroprop-1-enyl]-1,2,3,6-tetrahydropyridin-5-amine is sourced from PubChem (CID 142240042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).