(Z)-1-(5-fluoro-2,3,4,5-tetrahydropyridin-6-yl)-3,3-dimethylbut-1-en-2-amine

C11H19FN2 — CID 154673376

IUPAC(Z)-1-(5-fluoro-2,3,4,5-tetrahydropyridin-6-yl)-3,3-dimethylbut-1-en-2-amine
SMILESCC(C)(C)/C(N)=C/C1=NCCCC1F
InChIInChI=1S/C11H19FN2/c1-11(2,3)10(13)7-9-8(12)5-4-6-14-9/h7-8H,4-6,13H2,1-3H3/b10-7-
InChIKeyCIKJDMMVBOISBK-YFHOEESVSA-N
MW198.28 g/mol
LogP2.45
Rot. Bonds1

About (Z)-1-(5-fluoro-2,3,4,5-tetrahydropyridin-6-yl)-3,3-dimethylbut-1-en-2-amine

(Z)-1-(5-fluoro-2,3,4,5-tetrahydropyridin-6-yl)-3,3-dimethylbut-1-en-2-amine (PubChem CID 154673376) has the molecular formula C11H19FN2 and a molecular weight of 198.28 g/mol. Its IUPAC name is (Z)-1-(5-fluoro-2,3,4,5-tetrahydropyridin-6-yl)-3,3-dimethylbut-1-en-2-amine.

Molecular Properties

Compound Name(Z)-1-(5-fluoro-2,3,4,5-tetrahydropyridin-6-yl)-3,3-dimethylbut-1-en-2-amine
PubChem CID154673376
Molecular FormulaC11H19FN2
Molecular Weight198.28 g/mol
Exact Mass198.15
IUPAC Name(Z)-1-(5-fluoro-2,3,4,5-tetrahydropyridin-6-yl)-3,3-dimethylbut-1-en-2-amine
SMILESCC(C)(C)/C(N)=C/C1=NCCCC1F
InChIInChI=1S/C11H19FN2/c1-11(2,3)10(13)7-9-8(12)5-4-6-14-9/h7-8H,4-6,13H2,1-3H3/b10-7-
InChIKeyCIKJDMMVBOISBK-YFHOEESVSA-N
XLogP2.45
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.28
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (Z)-1-(5-fluoro-2,3,4,5-tetrahydropyridin-6-yl)-3,3-dimethylbut-1-en-2-amine?
The IUPAC name of (Z)-1-(5-fluoro-2,3,4,5-tetrahydropyridin-6-yl)-3,3-dimethylbut-1-en-2-amine (CID 154673376) is (Z)-1-(5-fluoro-2,3,4,5-tetrahydropyridin-6-yl)-3,3-dimethylbut-1-en-2-amine.
What is the SMILES notation for (Z)-1-(5-fluoro-2,3,4,5-tetrahydropyridin-6-yl)-3,3-dimethylbut-1-en-2-amine?
The canonical SMILES for (Z)-1-(5-fluoro-2,3,4,5-tetrahydropyridin-6-yl)-3,3-dimethylbut-1-en-2-amine is CC(C)(C)/C(N)=C/C1=NCCCC1F.
What is the InChIKey of (Z)-1-(5-fluoro-2,3,4,5-tetrahydropyridin-6-yl)-3,3-dimethylbut-1-en-2-amine?
The InChIKey is CIKJDMMVBOISBK-YFHOEESVSA-N. The full InChI is InChI=1S/C11H19FN2/c1-11(2,3)10(13)7-9-8(12)5-4-6-14-9/h7-8H,4-6,13H2,1-3H3/b10-7-.
What are the key properties of (Z)-1-(5-fluoro-2,3,4,5-tetrahydropyridin-6-yl)-3,3-dimethylbut-1-en-2-amine?
(Z)-1-(5-fluoro-2,3,4,5-tetrahydropyridin-6-yl)-3,3-dimethylbut-1-en-2-amine has a molecular weight of 198.28 g/mol, XLogP of 2.45, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-(5-fluoro-2,3,4,5-tetrahydropyridin-6-yl)-3,3-dimethylbut-1-en-2-amine is sourced from PubChem (CID 154673376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).