N-(5-methylhexan-2-yl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine

C15H28F3NO — CID 43748971

IUPACN-(5-methylhexan-2-yl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
SMILESCC(C)CCC(C)NC1CCCC(OCC(F)(F)F)C1
InChIInChI=1S/C15H28F3NO/c1-11(2)7-8-12(3)19-13-5-4-6-14(9-13)20-10-15(16,17)18/h11-14,19H,4-10H2,1-3H3
InChIKeyVTHBGRHRFDRUKD-UHFFFAOYSA-N
MW295.39 g/mol
LogP4.29
Rot. Bonds7

About N-(5-methylhexan-2-yl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine

N-(5-methylhexan-2-yl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine (PubChem CID 43748971) has the molecular formula C15H28F3NO and a molecular weight of 295.39 g/mol. Its IUPAC name is N-(5-methylhexan-2-yl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine.

Molecular Properties

Compound NameN-(5-methylhexan-2-yl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
PubChem CID43748971
Molecular FormulaC15H28F3NO
Molecular Weight295.39 g/mol
Exact Mass295.21
IUPAC NameN-(5-methylhexan-2-yl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
SMILESCC(C)CCC(C)NC1CCCC(OCC(F)(F)F)C1
InChIInChI=1S/C15H28F3NO/c1-11(2)7-8-12(3)19-13-5-4-6-14(9-13)20-10-15(16,17)18/h11-14,19H,4-10H2,1-3H3
InChIKeyVTHBGRHRFDRUKD-UHFFFAOYSA-N
XLogP4.29
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(5-methylhexan-2-yl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine?
The IUPAC name of N-(5-methylhexan-2-yl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine (CID 43748971) is N-(5-methylhexan-2-yl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine.
What is the SMILES notation for N-(5-methylhexan-2-yl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine?
The canonical SMILES for N-(5-methylhexan-2-yl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine is CC(C)CCC(C)NC1CCCC(OCC(F)(F)F)C1.
What is the InChIKey of N-(5-methylhexan-2-yl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine?
The InChIKey is VTHBGRHRFDRUKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28F3NO/c1-11(2)7-8-12(3)19-13-5-4-6-14(9-13)20-10-15(16,17)18/h11-14,19H,4-10H2,1-3H3.
What are the key properties of N-(5-methylhexan-2-yl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine?
N-(5-methylhexan-2-yl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine has a molecular weight of 295.39 g/mol, XLogP of 4.29, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methylhexan-2-yl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine is sourced from PubChem (CID 43748971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).