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

C18H26F2N2 — CID 164558181

IUPAC1-[(E)-3,3-difluoro-2-methylbut-1-enyl]-N-(4-methylcyclohexyl)-6-methylidenepyridin-2-amine
SMILESC=C1C=CC=C(NC2CCC(C)CC2)N1/C=C(\C)C(C)(F)F
InChIInChI=1S/C18H26F2N2/c1-13-8-10-16(11-9-13)21-17-7-5-6-15(3)22(17)12-14(2)18(4,19)20/h5-7,12-13,16,21H,3,8-11H2,1-2,4H3/b14-12+
InChIKeyYVMKGGIPYKEYGF-WYMLVPIESA-N
MW308.42 g/mol
LogP4.94
Rot. Bonds4

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

1-[(E)-3,3-difluoro-2-methylbut-1-enyl]-N-(4-methylcyclohexyl)-6-methylidenepyridin-2-amine (PubChem CID 164558181) has the molecular formula C18H26F2N2 and a molecular weight of 308.42 g/mol. Its IUPAC name is 1-[(E)-3,3-difluoro-2-methylbut-1-enyl]-N-(4-methylcyclohexyl)-6-methylidenepyridin-2-amine.

Molecular Properties

Compound Name1-[(E)-3,3-difluoro-2-methylbut-1-enyl]-N-(4-methylcyclohexyl)-6-methylidenepyridin-2-amine
PubChem CID164558181
Molecular FormulaC18H26F2N2
Molecular Weight308.42 g/mol
Exact Mass308.21
IUPAC Name1-[(E)-3,3-difluoro-2-methylbut-1-enyl]-N-(4-methylcyclohexyl)-6-methylidenepyridin-2-amine
SMILESC=C1C=CC=C(NC2CCC(C)CC2)N1/C=C(\C)C(C)(F)F
InChIInChI=1S/C18H26F2N2/c1-13-8-10-16(11-9-13)21-17-7-5-6-15(3)22(17)12-14(2)18(4,19)20/h5-7,12-13,16,21H,3,8-11H2,1-2,4H3/b14-12+
InChIKeyYVMKGGIPYKEYGF-WYMLVPIESA-N
XLogP4.94
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.42
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[(E)-3,3-difluoro-2-methylbut-1-enyl]-N-(4-methylcyclohexyl)-6-methylidenepyridin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-3,3-difluoro-2-methylbut-1-enyl]-N-(4-methylcyclohexyl)-6-methylidenepyridin-2-amine?
The IUPAC name of 1-[(E)-3,3-difluoro-2-methylbut-1-enyl]-N-(4-methylcyclohexyl)-6-methylidenepyridin-2-amine (CID 164558181) is 1-[(E)-3,3-difluoro-2-methylbut-1-enyl]-N-(4-methylcyclohexyl)-6-methylidenepyridin-2-amine.
What is the SMILES notation for 1-[(E)-3,3-difluoro-2-methylbut-1-enyl]-N-(4-methylcyclohexyl)-6-methylidenepyridin-2-amine?
The canonical SMILES for 1-[(E)-3,3-difluoro-2-methylbut-1-enyl]-N-(4-methylcyclohexyl)-6-methylidenepyridin-2-amine is C=C1C=CC=C(NC2CCC(C)CC2)N1/C=C(\C)C(C)(F)F.
What is the InChIKey of 1-[(E)-3,3-difluoro-2-methylbut-1-enyl]-N-(4-methylcyclohexyl)-6-methylidenepyridin-2-amine?
The InChIKey is YVMKGGIPYKEYGF-WYMLVPIESA-N. The full InChI is InChI=1S/C18H26F2N2/c1-13-8-10-16(11-9-13)21-17-7-5-6-15(3)22(17)12-14(2)18(4,19)20/h5-7,12-13,16,21H,3,8-11H2,1-2,4H3/b14-12+.
What are the key properties of 1-[(E)-3,3-difluoro-2-methylbut-1-enyl]-N-(4-methylcyclohexyl)-6-methylidenepyridin-2-amine?
1-[(E)-3,3-difluoro-2-methylbut-1-enyl]-N-(4-methylcyclohexyl)-6-methylidenepyridin-2-amine has a molecular weight of 308.42 g/mol, XLogP of 4.94, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-3,3-difluoro-2-methylbut-1-enyl]-N-(4-methylcyclohexyl)-6-methylidenepyridin-2-amine is sourced from PubChem (CID 164558181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).