4-fluoro-1-[(E)-3-fluoro-2,3-dimethylbut-1-enyl]-N-(4-methylcyclohexyl)-6-methylidenepyridin-2-amine

C19H28F2N2 — CID 164558277

IUPAC4-fluoro-1-[(E)-3-fluoro-2,3-dimethylbut-1-enyl]-N-(4-methylcyclohexyl)-6-methylidenepyridin-2-amine
SMILESC=C1C=C(F)C=C(NC2CCC(C)CC2)N1/C=C(\C)C(C)(C)F
InChIInChI=1S/C19H28F2N2/c1-13-6-8-17(9-7-13)22-18-11-16(20)10-15(3)23(18)12-14(2)19(4,5)21/h10-13,17,22H,3,6-9H2,1-2,4-5H3/b14-12+
InChIKeyCRUQCFGLOGWFRM-WYMLVPIESA-N
MW322.44 g/mol
LogP5.33
Rot. Bonds4

About 4-fluoro-1-[(E)-3-fluoro-2,3-dimethylbut-1-enyl]-N-(4-methylcyclohexyl)-6-methylidenepyridin-2-amine

4-fluoro-1-[(E)-3-fluoro-2,3-dimethylbut-1-enyl]-N-(4-methylcyclohexyl)-6-methylidenepyridin-2-amine (PubChem CID 164558277) has the molecular formula C19H28F2N2 and a molecular weight of 322.44 g/mol. Its IUPAC name is 4-fluoro-1-[(E)-3-fluoro-2,3-dimethylbut-1-enyl]-N-(4-methylcyclohexyl)-6-methylidenepyridin-2-amine.

Molecular Properties

Compound Name4-fluoro-1-[(E)-3-fluoro-2,3-dimethylbut-1-enyl]-N-(4-methylcyclohexyl)-6-methylidenepyridin-2-amine
PubChem CID164558277
Molecular FormulaC19H28F2N2
Molecular Weight322.44 g/mol
Exact Mass322.22
IUPAC Name4-fluoro-1-[(E)-3-fluoro-2,3-dimethylbut-1-enyl]-N-(4-methylcyclohexyl)-6-methylidenepyridin-2-amine
SMILESC=C1C=C(F)C=C(NC2CCC(C)CC2)N1/C=C(\C)C(C)(C)F
InChIInChI=1S/C19H28F2N2/c1-13-6-8-17(9-7-13)22-18-11-16(20)10-15(3)23(18)12-14(2)19(4,5)21/h10-13,17,22H,3,6-9H2,1-2,4-5H3/b14-12+
InChIKeyCRUQCFGLOGWFRM-WYMLVPIESA-N
XLogP5.33
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.44
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-1-[(E)-3-fluoro-2,3-dimethylbut-1-enyl]-N-(4-methylcyclohexyl)-6-methylidenepyridin-2-amine?
The IUPAC name of 4-fluoro-1-[(E)-3-fluoro-2,3-dimethylbut-1-enyl]-N-(4-methylcyclohexyl)-6-methylidenepyridin-2-amine (CID 164558277) is 4-fluoro-1-[(E)-3-fluoro-2,3-dimethylbut-1-enyl]-N-(4-methylcyclohexyl)-6-methylidenepyridin-2-amine.
What is the SMILES notation for 4-fluoro-1-[(E)-3-fluoro-2,3-dimethylbut-1-enyl]-N-(4-methylcyclohexyl)-6-methylidenepyridin-2-amine?
The canonical SMILES for 4-fluoro-1-[(E)-3-fluoro-2,3-dimethylbut-1-enyl]-N-(4-methylcyclohexyl)-6-methylidenepyridin-2-amine is C=C1C=C(F)C=C(NC2CCC(C)CC2)N1/C=C(\C)C(C)(C)F.
What is the InChIKey of 4-fluoro-1-[(E)-3-fluoro-2,3-dimethylbut-1-enyl]-N-(4-methylcyclohexyl)-6-methylidenepyridin-2-amine?
The InChIKey is CRUQCFGLOGWFRM-WYMLVPIESA-N. The full InChI is InChI=1S/C19H28F2N2/c1-13-6-8-17(9-7-13)22-18-11-16(20)10-15(3)23(18)12-14(2)19(4,5)21/h10-13,17,22H,3,6-9H2,1-2,4-5H3/b14-12+.
What are the key properties of 4-fluoro-1-[(E)-3-fluoro-2,3-dimethylbut-1-enyl]-N-(4-methylcyclohexyl)-6-methylidenepyridin-2-amine?
4-fluoro-1-[(E)-3-fluoro-2,3-dimethylbut-1-enyl]-N-(4-methylcyclohexyl)-6-methylidenepyridin-2-amine has a molecular weight of 322.44 g/mol, XLogP of 5.33, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1-[(E)-3-fluoro-2,3-dimethylbut-1-enyl]-N-(4-methylcyclohexyl)-6-methylidenepyridin-2-amine is sourced from PubChem (CID 164558277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).