5-methyl-2-[2-methyl-5-(2,2,2-trifluoroethoxy)pentan-2-yl]cyclohexan-1-amine

C15H28F3NO — CID 64765555

IUPAC5-methyl-2-[2-methyl-5-(2,2,2-trifluoroethoxy)pentan-2-yl]cyclohexan-1-amine
SMILESCC1CCC(C(C)(C)CCCOCC(F)(F)F)C(N)C1
InChIInChI=1S/C15H28F3NO/c1-11-5-6-12(13(19)9-11)14(2,3)7-4-8-20-10-15(16,17)18/h11-13H,4-10,19H2,1-3H3
InChIKeyZKVGSAQIFWNVJN-UHFFFAOYSA-N
MW295.39 g/mol
LogP4.14
Rot. Bonds6

About 5-methyl-2-[2-methyl-5-(2,2,2-trifluoroethoxy)pentan-2-yl]cyclohexan-1-amine

5-methyl-2-[2-methyl-5-(2,2,2-trifluoroethoxy)pentan-2-yl]cyclohexan-1-amine (PubChem CID 64765555) has the molecular formula C15H28F3NO and a molecular weight of 295.39 g/mol. Its IUPAC name is 5-methyl-2-[2-methyl-5-(2,2,2-trifluoroethoxy)pentan-2-yl]cyclohexan-1-amine.

Molecular Properties

Compound Name5-methyl-2-[2-methyl-5-(2,2,2-trifluoroethoxy)pentan-2-yl]cyclohexan-1-amine
PubChem CID64765555
Molecular FormulaC15H28F3NO
Molecular Weight295.39 g/mol
Exact Mass295.21
IUPAC Name5-methyl-2-[2-methyl-5-(2,2,2-trifluoroethoxy)pentan-2-yl]cyclohexan-1-amine
SMILESCC1CCC(C(C)(C)CCCOCC(F)(F)F)C(N)C1
InChIInChI=1S/C15H28F3NO/c1-11-5-6-12(13(19)9-11)14(2,3)7-4-8-20-10-15(16,17)18/h11-13H,4-10,19H2,1-3H3
InChIKeyZKVGSAQIFWNVJN-UHFFFAOYSA-N
XLogP4.14
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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CID 55095776
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CID 61748327
CID 61748327
CID 61749149
CID 61749149
CID 61749334
CID 61749334
CID 61750315
CID 61750315
CID 61751074
CID 61751074
CID 61751248
CID 61751248
CID 62724702
CID 62724702
CID 62724900
CID 62724900

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-[2-methyl-5-(2,2,2-trifluoroethoxy)pentan-2-yl]cyclohexan-1-amine?
The IUPAC name of 5-methyl-2-[2-methyl-5-(2,2,2-trifluoroethoxy)pentan-2-yl]cyclohexan-1-amine (CID 64765555) is 5-methyl-2-[2-methyl-5-(2,2,2-trifluoroethoxy)pentan-2-yl]cyclohexan-1-amine.
What is the SMILES notation for 5-methyl-2-[2-methyl-5-(2,2,2-trifluoroethoxy)pentan-2-yl]cyclohexan-1-amine?
The canonical SMILES for 5-methyl-2-[2-methyl-5-(2,2,2-trifluoroethoxy)pentan-2-yl]cyclohexan-1-amine is CC1CCC(C(C)(C)CCCOCC(F)(F)F)C(N)C1.
What is the InChIKey of 5-methyl-2-[2-methyl-5-(2,2,2-trifluoroethoxy)pentan-2-yl]cyclohexan-1-amine?
The InChIKey is ZKVGSAQIFWNVJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28F3NO/c1-11-5-6-12(13(19)9-11)14(2,3)7-4-8-20-10-15(16,17)18/h11-13H,4-10,19H2,1-3H3.
What are the key properties of 5-methyl-2-[2-methyl-5-(2,2,2-trifluoroethoxy)pentan-2-yl]cyclohexan-1-amine?
5-methyl-2-[2-methyl-5-(2,2,2-trifluoroethoxy)pentan-2-yl]cyclohexan-1-amine has a molecular weight of 295.39 g/mol, XLogP of 4.14, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-[2-methyl-5-(2,2,2-trifluoroethoxy)pentan-2-yl]cyclohexan-1-amine is sourced from PubChem (CID 64765555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).