N-fluoro-N-methyl-4-pent-4-en-2-yl-5-prop-1-en-2-ylimino-1-propyl-2,6-dihydropyridin-3-amine

C17H28FN3 — CID 134479249

IUPACN-fluoro-N-methyl-4-pent-4-en-2-yl-5-prop-1-en-2-ylimino-1-propyl-2,6-dihydropyridin-3-amine
SMILESC=CCC(C)C1=C(N(C)F)CN(CCC)C/C1=N\C(=C)C
InChIInChI=1S/C17H28FN3/c1-7-9-14(5)17-15(19-13(3)4)11-21(10-8-2)12-16(17)20(6)18/h7,14H,1,3,8-12H2,2,4-6H3/b19-15+
InChIKeyODCRGVQCGOKVNT-XDJHFCHBSA-N
MW293.43 g/mol
LogP3.97
Rot. Bonds7

About N-fluoro-N-methyl-4-pent-4-en-2-yl-5-prop-1-en-2-ylimino-1-propyl-2,6-dihydropyridin-3-amine

N-fluoro-N-methyl-4-pent-4-en-2-yl-5-prop-1-en-2-ylimino-1-propyl-2,6-dihydropyridin-3-amine (PubChem CID 134479249) has the molecular formula C17H28FN3 and a molecular weight of 293.43 g/mol. Its IUPAC name is N-fluoro-N-methyl-4-pent-4-en-2-yl-5-prop-1-en-2-ylimino-1-propyl-2,6-dihydropyridin-3-amine.

Molecular Properties

Compound NameN-fluoro-N-methyl-4-pent-4-en-2-yl-5-prop-1-en-2-ylimino-1-propyl-2,6-dihydropyridin-3-amine
PubChem CID134479249
Molecular FormulaC17H28FN3
Molecular Weight293.43 g/mol
Exact Mass293.23
IUPAC NameN-fluoro-N-methyl-4-pent-4-en-2-yl-5-prop-1-en-2-ylimino-1-propyl-2,6-dihydropyridin-3-amine
SMILESC=CCC(C)C1=C(N(C)F)CN(CCC)C/C1=N\C(=C)C
InChIInChI=1S/C17H28FN3/c1-7-9-14(5)17-15(19-13(3)4)11-21(10-8-2)12-16(17)20(6)18/h7,14H,1,3,8-12H2,2,4-6H3/b19-15+
InChIKeyODCRGVQCGOKVNT-XDJHFCHBSA-N
XLogP3.97
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.43
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-fluoro-N-methyl-4-pent-4-en-2-yl-5-prop-1-en-2-ylimino-1-propyl-2,6-dihydropyridin-3-amine?
The IUPAC name of N-fluoro-N-methyl-4-pent-4-en-2-yl-5-prop-1-en-2-ylimino-1-propyl-2,6-dihydropyridin-3-amine (CID 134479249) is N-fluoro-N-methyl-4-pent-4-en-2-yl-5-prop-1-en-2-ylimino-1-propyl-2,6-dihydropyridin-3-amine.
What is the SMILES notation for N-fluoro-N-methyl-4-pent-4-en-2-yl-5-prop-1-en-2-ylimino-1-propyl-2,6-dihydropyridin-3-amine?
The canonical SMILES for N-fluoro-N-methyl-4-pent-4-en-2-yl-5-prop-1-en-2-ylimino-1-propyl-2,6-dihydropyridin-3-amine is C=CCC(C)C1=C(N(C)F)CN(CCC)C/C1=N\C(=C)C.
What is the InChIKey of N-fluoro-N-methyl-4-pent-4-en-2-yl-5-prop-1-en-2-ylimino-1-propyl-2,6-dihydropyridin-3-amine?
The InChIKey is ODCRGVQCGOKVNT-XDJHFCHBSA-N. The full InChI is InChI=1S/C17H28FN3/c1-7-9-14(5)17-15(19-13(3)4)11-21(10-8-2)12-16(17)20(6)18/h7,14H,1,3,8-12H2,2,4-6H3/b19-15+.
What are the key properties of N-fluoro-N-methyl-4-pent-4-en-2-yl-5-prop-1-en-2-ylimino-1-propyl-2,6-dihydropyridin-3-amine?
N-fluoro-N-methyl-4-pent-4-en-2-yl-5-prop-1-en-2-ylimino-1-propyl-2,6-dihydropyridin-3-amine has a molecular weight of 293.43 g/mol, XLogP of 3.97, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-fluoro-N-methyl-4-pent-4-en-2-yl-5-prop-1-en-2-ylimino-1-propyl-2,6-dihydropyridin-3-amine is sourced from PubChem (CID 134479249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).