2-fluoro-N-prop-1-en-2-ylpropan-1-amine;6-methyl-1,2,3,4-tetrahydropyridine

C12H23FN2 — CID 166140812

IUPAC2-fluoro-N-prop-1-en-2-ylpropan-1-amine;6-methyl-1,2,3,4-tetrahydropyridine
SMILESC=C(C)NCC(C)F.CC1=CCCCN1
InChIInChI=1S/C6H12FN.C6H11N/c1-5(2)8-4-6(3)7;1-6-4-2-3-5-7-6/h6,8H,1,4H2,2-3H3;4,7H,2-3,5H2,1H3
InChIKeyZRPLOPCPVOODSX-UHFFFAOYSA-N
MW214.33 g/mol
LogP2.74
Rot. Bonds3

About 2-fluoro-N-prop-1-en-2-ylpropan-1-amine;6-methyl-1,2,3,4-tetrahydropyridine

2-fluoro-N-prop-1-en-2-ylpropan-1-amine;6-methyl-1,2,3,4-tetrahydropyridine (PubChem CID 166140812) has the molecular formula C12H23FN2 and a molecular weight of 214.33 g/mol. Its IUPAC name is 2-fluoro-N-prop-1-en-2-ylpropan-1-amine;6-methyl-1,2,3,4-tetrahydropyridine.

Molecular Properties

Compound Name2-fluoro-N-prop-1-en-2-ylpropan-1-amine;6-methyl-1,2,3,4-tetrahydropyridine
PubChem CID166140812
Molecular FormulaC12H23FN2
Molecular Weight214.33 g/mol
Exact Mass214.18
IUPAC Name2-fluoro-N-prop-1-en-2-ylpropan-1-amine;6-methyl-1,2,3,4-tetrahydropyridine
SMILESC=C(C)NCC(C)F.CC1=CCCCN1
InChIInChI=1S/C6H12FN.C6H11N/c1-5(2)8-4-6(3)7;1-6-4-2-3-5-7-6/h6,8H,1,4H2,2-3H3;4,7H,2-3,5H2,1H3
InChIKeyZRPLOPCPVOODSX-UHFFFAOYSA-N
XLogP2.74
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.33
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-prop-1-en-2-ylpropan-1-amine;6-methyl-1,2,3,4-tetrahydropyridine?
The IUPAC name of 2-fluoro-N-prop-1-en-2-ylpropan-1-amine;6-methyl-1,2,3,4-tetrahydropyridine (CID 166140812) is 2-fluoro-N-prop-1-en-2-ylpropan-1-amine;6-methyl-1,2,3,4-tetrahydropyridine.
What is the SMILES notation for 2-fluoro-N-prop-1-en-2-ylpropan-1-amine;6-methyl-1,2,3,4-tetrahydropyridine?
The canonical SMILES for 2-fluoro-N-prop-1-en-2-ylpropan-1-amine;6-methyl-1,2,3,4-tetrahydropyridine is C=C(C)NCC(C)F.CC1=CCCCN1.
What is the InChIKey of 2-fluoro-N-prop-1-en-2-ylpropan-1-amine;6-methyl-1,2,3,4-tetrahydropyridine?
The InChIKey is ZRPLOPCPVOODSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12FN.C6H11N/c1-5(2)8-4-6(3)7;1-6-4-2-3-5-7-6/h6,8H,1,4H2,2-3H3;4,7H,2-3,5H2,1H3.
What are the key properties of 2-fluoro-N-prop-1-en-2-ylpropan-1-amine;6-methyl-1,2,3,4-tetrahydropyridine?
2-fluoro-N-prop-1-en-2-ylpropan-1-amine;6-methyl-1,2,3,4-tetrahydropyridine has a molecular weight of 214.33 g/mol, XLogP of 2.74, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-prop-1-en-2-ylpropan-1-amine;6-methyl-1,2,3,4-tetrahydropyridine is sourced from PubChem (CID 166140812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).