N-[(E)-[1-butyl-4-(2-ethenyl-4-fluoro-6-methylphenyl)-2,6-dihydropyridin-3-ylidene]amino]methanamine

C19H26FN3 — CID 134479207

IUPACN-[(E)-[1-butyl-4-(2-ethenyl-4-fluoro-6-methylphenyl)-2,6-dihydropyridin-3-ylidene]amino]methanamine
SMILESC=Cc1cc(F)cc(C)c1C1=CCN(CCCC)CC1=NNC
InChIInChI=1S/C19H26FN3/c1-5-7-9-23-10-8-17(18(13-23)22-21-4)19-14(3)11-16(20)12-15(19)6-2/h6,8,11-12,21H,2,5,7,9-10,13H2,1,3-4H3
InChIKeyGFOWGKOLQAJXID-UHFFFAOYSA-N
MW315.44 g/mol
LogP3.85
Rot. Bonds6

About N-[(E)-[1-butyl-4-(2-ethenyl-4-fluoro-6-methylphenyl)-2,6-dihydropyridin-3-ylidene]amino]methanamine

N-[(E)-[1-butyl-4-(2-ethenyl-4-fluoro-6-methylphenyl)-2,6-dihydropyridin-3-ylidene]amino]methanamine (PubChem CID 134479207) has the molecular formula C19H26FN3 and a molecular weight of 315.44 g/mol. Its IUPAC name is N-[(E)-[1-butyl-4-(2-ethenyl-4-fluoro-6-methylphenyl)-2,6-dihydropyridin-3-ylidene]amino]methanamine.

Molecular Properties

Compound NameN-[(E)-[1-butyl-4-(2-ethenyl-4-fluoro-6-methylphenyl)-2,6-dihydropyridin-3-ylidene]amino]methanamine
PubChem CID134479207
Molecular FormulaC19H26FN3
Molecular Weight315.44 g/mol
Exact Mass315.21
IUPAC NameN-[(E)-[1-butyl-4-(2-ethenyl-4-fluoro-6-methylphenyl)-2,6-dihydropyridin-3-ylidene]amino]methanamine
SMILESC=Cc1cc(F)cc(C)c1C1=CCN(CCCC)CC1=NNC
InChIInChI=1S/C19H26FN3/c1-5-7-9-23-10-8-17(18(13-23)22-21-4)19-14(3)11-16(20)12-15(19)6-2/h6,8,11-12,21H,2,5,7,9-10,13H2,1,3-4H3
InChIKeyGFOWGKOLQAJXID-UHFFFAOYSA-N
XLogP3.85
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.44
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-[1-butyl-4-(2-ethenyl-4-fluoro-6-methylphenyl)-2,6-dihydropyridin-3-ylidene]amino]methanamine?
The IUPAC name of N-[(E)-[1-butyl-4-(2-ethenyl-4-fluoro-6-methylphenyl)-2,6-dihydropyridin-3-ylidene]amino]methanamine (CID 134479207) is N-[(E)-[1-butyl-4-(2-ethenyl-4-fluoro-6-methylphenyl)-2,6-dihydropyridin-3-ylidene]amino]methanamine.
What is the SMILES notation for N-[(E)-[1-butyl-4-(2-ethenyl-4-fluoro-6-methylphenyl)-2,6-dihydropyridin-3-ylidene]amino]methanamine?
The canonical SMILES for N-[(E)-[1-butyl-4-(2-ethenyl-4-fluoro-6-methylphenyl)-2,6-dihydropyridin-3-ylidene]amino]methanamine is C=Cc1cc(F)cc(C)c1C1=CCN(CCCC)CC1=NNC.
What is the InChIKey of N-[(E)-[1-butyl-4-(2-ethenyl-4-fluoro-6-methylphenyl)-2,6-dihydropyridin-3-ylidene]amino]methanamine?
The InChIKey is GFOWGKOLQAJXID-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26FN3/c1-5-7-9-23-10-8-17(18(13-23)22-21-4)19-14(3)11-16(20)12-15(19)6-2/h6,8,11-12,21H,2,5,7,9-10,13H2,1,3-4H3.
What are the key properties of N-[(E)-[1-butyl-4-(2-ethenyl-4-fluoro-6-methylphenyl)-2,6-dihydropyridin-3-ylidene]amino]methanamine?
N-[(E)-[1-butyl-4-(2-ethenyl-4-fluoro-6-methylphenyl)-2,6-dihydropyridin-3-ylidene]amino]methanamine has a molecular weight of 315.44 g/mol, XLogP of 3.85, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-[1-butyl-4-(2-ethenyl-4-fluoro-6-methylphenyl)-2,6-dihydropyridin-3-ylidene]amino]methanamine is sourced from PubChem (CID 134479207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).