N-(2-methylbutyl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine

C13H24F3NO — CID 43748958

IUPACN-(2-methylbutyl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
SMILESCCC(C)CNC1CCCC(OCC(F)(F)F)C1
InChIInChI=1S/C13H24F3NO/c1-3-10(2)8-17-11-5-4-6-12(7-11)18-9-13(14,15)16/h10-12,17H,3-9H2,1-2H3
InChIKeyNDZCPCSIHLUONG-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.51
Rot. Bonds6

About N-(2-methylbutyl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine

N-(2-methylbutyl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine (PubChem CID 43748958) has the molecular formula C13H24F3NO and a molecular weight of 267.33 g/mol. Its IUPAC name is N-(2-methylbutyl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine.

Molecular Properties

Compound NameN-(2-methylbutyl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
PubChem CID43748958
Molecular FormulaC13H24F3NO
Molecular Weight267.33 g/mol
Exact Mass267.18
IUPAC NameN-(2-methylbutyl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
SMILESCCC(C)CNC1CCCC(OCC(F)(F)F)C1
InChIInChI=1S/C13H24F3NO/c1-3-10(2)8-17-11-5-4-6-12(7-11)18-9-13(14,15)16/h10-12,17H,3-9H2,1-2H3
InChIKeyNDZCPCSIHLUONG-UHFFFAOYSA-N
XLogP3.51
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-methylbutyl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine?
The IUPAC name of N-(2-methylbutyl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine (CID 43748958) is N-(2-methylbutyl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine.
What is the SMILES notation for N-(2-methylbutyl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine?
The canonical SMILES for N-(2-methylbutyl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine is CCC(C)CNC1CCCC(OCC(F)(F)F)C1.
What is the InChIKey of N-(2-methylbutyl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine?
The InChIKey is NDZCPCSIHLUONG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F3NO/c1-3-10(2)8-17-11-5-4-6-12(7-11)18-9-13(14,15)16/h10-12,17H,3-9H2,1-2H3.
What are the key properties of N-(2-methylbutyl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine?
N-(2-methylbutyl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine has a molecular weight of 267.33 g/mol, XLogP of 3.51, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylbutyl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine is sourced from PubChem (CID 43748958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).