1-(1,1-difluoroprop-2-enyl)-5-ethyl-N-methyl-3,6-dihydro-2H-pyridin-4-amine

C11H18F2N2 — CID 156572553

IUPAC1-(1,1-difluoroprop-2-enyl)-5-ethyl-N-methyl-3,6-dihydro-2H-pyridin-4-amine
SMILESC=CC(F)(F)N1CCC(NC)=C(CC)C1
InChIInChI=1S/C11H18F2N2/c1-4-9-8-15(11(12,13)5-2)7-6-10(9)14-3/h5,14H,2,4,6-8H2,1,3H3
InChIKeyLPBBQKMCNBRSRJ-UHFFFAOYSA-N
MW216.27 g/mol
LogP2.35
Rot. Bonds4

About 1-(1,1-difluoroprop-2-enyl)-5-ethyl-N-methyl-3,6-dihydro-2H-pyridin-4-amine

1-(1,1-difluoroprop-2-enyl)-5-ethyl-N-methyl-3,6-dihydro-2H-pyridin-4-amine (PubChem CID 156572553) has the molecular formula C11H18F2N2 and a molecular weight of 216.27 g/mol. Its IUPAC name is 1-(1,1-difluoroprop-2-enyl)-5-ethyl-N-methyl-3,6-dihydro-2H-pyridin-4-amine.

Molecular Properties

Compound Name1-(1,1-difluoroprop-2-enyl)-5-ethyl-N-methyl-3,6-dihydro-2H-pyridin-4-amine
PubChem CID156572553
Molecular FormulaC11H18F2N2
Molecular Weight216.27 g/mol
Exact Mass216.14
IUPAC Name1-(1,1-difluoroprop-2-enyl)-5-ethyl-N-methyl-3,6-dihydro-2H-pyridin-4-amine
SMILESC=CC(F)(F)N1CCC(NC)=C(CC)C1
InChIInChI=1S/C11H18F2N2/c1-4-9-8-15(11(12,13)5-2)7-6-10(9)14-3/h5,14H,2,4,6-8H2,1,3H3
InChIKeyLPBBQKMCNBRSRJ-UHFFFAOYSA-N
XLogP2.35
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.27
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(1,1-difluoroprop-2-enyl)-5-ethyl-N-methyl-3,6-dihydro-2H-pyridin-4-amine?
The IUPAC name of 1-(1,1-difluoroprop-2-enyl)-5-ethyl-N-methyl-3,6-dihydro-2H-pyridin-4-amine (CID 156572553) is 1-(1,1-difluoroprop-2-enyl)-5-ethyl-N-methyl-3,6-dihydro-2H-pyridin-4-amine.
What is the SMILES notation for 1-(1,1-difluoroprop-2-enyl)-5-ethyl-N-methyl-3,6-dihydro-2H-pyridin-4-amine?
The canonical SMILES for 1-(1,1-difluoroprop-2-enyl)-5-ethyl-N-methyl-3,6-dihydro-2H-pyridin-4-amine is C=CC(F)(F)N1CCC(NC)=C(CC)C1.
What is the InChIKey of 1-(1,1-difluoroprop-2-enyl)-5-ethyl-N-methyl-3,6-dihydro-2H-pyridin-4-amine?
The InChIKey is LPBBQKMCNBRSRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F2N2/c1-4-9-8-15(11(12,13)5-2)7-6-10(9)14-3/h5,14H,2,4,6-8H2,1,3H3.
What are the key properties of 1-(1,1-difluoroprop-2-enyl)-5-ethyl-N-methyl-3,6-dihydro-2H-pyridin-4-amine?
1-(1,1-difluoroprop-2-enyl)-5-ethyl-N-methyl-3,6-dihydro-2H-pyridin-4-amine has a molecular weight of 216.27 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1-difluoroprop-2-enyl)-5-ethyl-N-methyl-3,6-dihydro-2H-pyridin-4-amine is sourced from PubChem (CID 156572553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).