N-[(4-tert-butylcyclohexyl)methyl]-2,2,2-trifluoroethanamine

C13H24F3N — CID 55111256

IUPACN-[(4-tert-butylcyclohexyl)methyl]-2,2,2-trifluoroethanamine
SMILESCC(C)(C)C1CCC(CNCC(F)(F)F)CC1
InChIInChI=1S/C13H24F3N/c1-12(2,3)11-6-4-10(5-7-11)8-17-9-13(14,15)16/h10-11,17H,4-9H2,1-3H3
InChIKeyYHEZPTUWMSSEDX-UHFFFAOYSA-N
MW251.34 g/mol
LogP3.99
Rot. Bonds3

About N-[(4-tert-butylcyclohexyl)methyl]-2,2,2-trifluoroethanamine

N-[(4-tert-butylcyclohexyl)methyl]-2,2,2-trifluoroethanamine (PubChem CID 55111256) has the molecular formula C13H24F3N and a molecular weight of 251.34 g/mol. Its IUPAC name is N-[(4-tert-butylcyclohexyl)methyl]-2,2,2-trifluoroethanamine.

Molecular Properties

Compound NameN-[(4-tert-butylcyclohexyl)methyl]-2,2,2-trifluoroethanamine
PubChem CID55111256
Molecular FormulaC13H24F3N
Molecular Weight251.34 g/mol
Exact Mass251.19
IUPAC NameN-[(4-tert-butylcyclohexyl)methyl]-2,2,2-trifluoroethanamine
SMILESCC(C)(C)C1CCC(CNCC(F)(F)F)CC1
InChIInChI=1S/C13H24F3N/c1-12(2,3)11-6-4-10(5-7-11)8-17-9-13(14,15)16/h10-11,17H,4-9H2,1-3H3
InChIKeyYHEZPTUWMSSEDX-UHFFFAOYSA-N
XLogP3.99
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.34
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[(4-tert-butylcyclohexyl)methyl]-2,2,2-trifluoroethanamine?
The IUPAC name of N-[(4-tert-butylcyclohexyl)methyl]-2,2,2-trifluoroethanamine (CID 55111256) is N-[(4-tert-butylcyclohexyl)methyl]-2,2,2-trifluoroethanamine.
What is the SMILES notation for N-[(4-tert-butylcyclohexyl)methyl]-2,2,2-trifluoroethanamine?
The canonical SMILES for N-[(4-tert-butylcyclohexyl)methyl]-2,2,2-trifluoroethanamine is CC(C)(C)C1CCC(CNCC(F)(F)F)CC1.
What is the InChIKey of N-[(4-tert-butylcyclohexyl)methyl]-2,2,2-trifluoroethanamine?
The InChIKey is YHEZPTUWMSSEDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F3N/c1-12(2,3)11-6-4-10(5-7-11)8-17-9-13(14,15)16/h10-11,17H,4-9H2,1-3H3.
What are the key properties of N-[(4-tert-butylcyclohexyl)methyl]-2,2,2-trifluoroethanamine?
N-[(4-tert-butylcyclohexyl)methyl]-2,2,2-trifluoroethanamine has a molecular weight of 251.34 g/mol, XLogP of 3.99, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-tert-butylcyclohexyl)methyl]-2,2,2-trifluoroethanamine is sourced from PubChem (CID 55111256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).