4-fluoro-1-methyl-2,6-di(propan-2-yl)cyclohexan-1-amine

C13H26FN — CID 135252219

IUPAC4-fluoro-1-methyl-2,6-di(propan-2-yl)cyclohexan-1-amine
SMILESCC(C)C1CC(F)CC(C(C)C)C1(C)N
InChIInChI=1S/C13H26FN/c1-8(2)11-6-10(14)7-12(9(3)4)13(11,5)15/h8-12H,6-7,15H2,1-5H3
InChIKeyZMGUHRXBYWJIQC-UHFFFAOYSA-N
MW215.36 g/mol
LogP3.38
Rot. Bonds2

About 4-fluoro-1-methyl-2,6-di(propan-2-yl)cyclohexan-1-amine

4-fluoro-1-methyl-2,6-di(propan-2-yl)cyclohexan-1-amine (PubChem CID 135252219) has the molecular formula C13H26FN and a molecular weight of 215.36 g/mol. Its IUPAC name is 4-fluoro-1-methyl-2,6-di(propan-2-yl)cyclohexan-1-amine.

Molecular Properties

Compound Name4-fluoro-1-methyl-2,6-di(propan-2-yl)cyclohexan-1-amine
PubChem CID135252219
Molecular FormulaC13H26FN
Molecular Weight215.36 g/mol
Exact Mass215.20
IUPAC Name4-fluoro-1-methyl-2,6-di(propan-2-yl)cyclohexan-1-amine
SMILESCC(C)C1CC(F)CC(C(C)C)C1(C)N
InChIInChI=1S/C13H26FN/c1-8(2)11-6-10(14)7-12(9(3)4)13(11,5)15/h8-12H,6-7,15H2,1-5H3
InChIKeyZMGUHRXBYWJIQC-UHFFFAOYSA-N
XLogP3.38
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.36
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-1-methyl-2,6-di(propan-2-yl)cyclohexan-1-amine?
The IUPAC name of 4-fluoro-1-methyl-2,6-di(propan-2-yl)cyclohexan-1-amine (CID 135252219) is 4-fluoro-1-methyl-2,6-di(propan-2-yl)cyclohexan-1-amine.
What is the SMILES notation for 4-fluoro-1-methyl-2,6-di(propan-2-yl)cyclohexan-1-amine?
The canonical SMILES for 4-fluoro-1-methyl-2,6-di(propan-2-yl)cyclohexan-1-amine is CC(C)C1CC(F)CC(C(C)C)C1(C)N.
What is the InChIKey of 4-fluoro-1-methyl-2,6-di(propan-2-yl)cyclohexan-1-amine?
The InChIKey is ZMGUHRXBYWJIQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26FN/c1-8(2)11-6-10(14)7-12(9(3)4)13(11,5)15/h8-12H,6-7,15H2,1-5H3.
What are the key properties of 4-fluoro-1-methyl-2,6-di(propan-2-yl)cyclohexan-1-amine?
4-fluoro-1-methyl-2,6-di(propan-2-yl)cyclohexan-1-amine has a molecular weight of 215.36 g/mol, XLogP of 3.38, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1-methyl-2,6-di(propan-2-yl)cyclohexan-1-amine is sourced from PubChem (CID 135252219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).