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

C12H19FN2 — CID 142240043

IUPACN-[(E)-but-2-en-2-yl]-4-[(E)-3-fluoroprop-1-enyl]-1,2,3,6-tetrahydropyridin-5-amine
SMILESC/C=C(\C)/NC1=C(CCNC1)/C=C/CF
InChIInChI=1S/C12H19FN2/c1-3-10(2)15-12-9-14-8-6-11(12)5-4-7-13/h3-5,14-15H,6-9H2,1-2H3/b5-4+,10-3+
InChIKeyZUZTWOBCWBRPKB-RUQOPNIZSA-N
MW210.29 g/mol
LogP1.60
Rot. Bonds4

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

N-[(E)-but-2-en-2-yl]-4-[(E)-3-fluoroprop-1-enyl]-1,2,3,6-tetrahydropyridin-5-amine (PubChem CID 142240043) has the molecular formula C12H19FN2 and a molecular weight of 210.29 g/mol. Its IUPAC name is N-[(E)-but-2-en-2-yl]-4-[(E)-3-fluoroprop-1-enyl]-1,2,3,6-tetrahydropyridin-5-amine.

Molecular Properties

Compound NameN-[(E)-but-2-en-2-yl]-4-[(E)-3-fluoroprop-1-enyl]-1,2,3,6-tetrahydropyridin-5-amine
PubChem CID142240043
Molecular FormulaC12H19FN2
Molecular Weight210.29 g/mol
Exact Mass210.15
IUPAC NameN-[(E)-but-2-en-2-yl]-4-[(E)-3-fluoroprop-1-enyl]-1,2,3,6-tetrahydropyridin-5-amine
SMILESC/C=C(\C)/NC1=C(CCNC1)/C=C/CF
InChIInChI=1S/C12H19FN2/c1-3-10(2)15-12-9-14-8-6-11(12)5-4-7-13/h3-5,14-15H,6-9H2,1-2H3/b5-4+,10-3+
InChIKeyZUZTWOBCWBRPKB-RUQOPNIZSA-N
XLogP1.60
TPSA24.10 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity290

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.29
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-but-2-en-2-yl]-4-[(E)-3-fluoroprop-1-enyl]-1,2,3,6-tetrahydropyridin-5-amine?
The IUPAC name of N-[(E)-but-2-en-2-yl]-4-[(E)-3-fluoroprop-1-enyl]-1,2,3,6-tetrahydropyridin-5-amine (CID 142240043) is 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 N-[(E)-but-2-en-2-yl]-4-[(E)-3-fluoroprop-1-enyl]-1,2,3,6-tetrahydropyridin-5-amine?
The canonical SMILES for 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)/NC1=C(CCNC1)/C=C/CF.
What is the InChIKey of N-[(E)-but-2-en-2-yl]-4-[(E)-3-fluoroprop-1-enyl]-1,2,3,6-tetrahydropyridin-5-amine?
The InChIKey is ZUZTWOBCWBRPKB-RUQOPNIZSA-N. The full InChI is InChI=1S/C12H19FN2/c1-3-10(2)15-12-9-14-8-6-11(12)5-4-7-13/h3-5,14-15H,6-9H2,1-2H3/b5-4+,10-3+.
What are the key properties of N-[(E)-but-2-en-2-yl]-4-[(E)-3-fluoroprop-1-enyl]-1,2,3,6-tetrahydropyridin-5-amine?
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 210.29 g/mol, XLogP of 1.60, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 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 142240043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).