3,3-dimethyl-N-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexan-1-amine

C13H24F3NO — CID 81421182

IUPAC3,3-dimethyl-N-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexan-1-amine
SMILESCC1(C)CCCC(NCCCOCC(F)(F)F)C1
InChIInChI=1S/C13H24F3NO/c1-12(2)6-3-5-11(9-12)17-7-4-8-18-10-13(14,15)16/h11,17H,3-10H2,1-2H3
InChIKeyPTDOZWRKDJQIEH-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.51
Rot. Bonds6

About 3,3-dimethyl-N-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexan-1-amine

3,3-dimethyl-N-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexan-1-amine (PubChem CID 81421182) has the molecular formula C13H24F3NO and a molecular weight of 267.33 g/mol. Its IUPAC name is 3,3-dimethyl-N-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexan-1-amine.

Molecular Properties

Compound Name3,3-dimethyl-N-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexan-1-amine
PubChem CID81421182
Molecular FormulaC13H24F3NO
Molecular Weight267.33 g/mol
Exact Mass267.18
IUPAC Name3,3-dimethyl-N-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexan-1-amine
SMILESCC1(C)CCCC(NCCCOCC(F)(F)F)C1
InChIInChI=1S/C13H24F3NO/c1-12(2)6-3-5-11(9-12)17-7-4-8-18-10-13(14,15)16/h11,17H,3-10H2,1-2H3
InChIKeyPTDOZWRKDJQIEH-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

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-N-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexan-1-amine?
The IUPAC name of 3,3-dimethyl-N-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexan-1-amine (CID 81421182) is 3,3-dimethyl-N-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexan-1-amine.
What is the SMILES notation for 3,3-dimethyl-N-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexan-1-amine?
The canonical SMILES for 3,3-dimethyl-N-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexan-1-amine is CC1(C)CCCC(NCCCOCC(F)(F)F)C1.
What is the InChIKey of 3,3-dimethyl-N-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexan-1-amine?
The InChIKey is PTDOZWRKDJQIEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F3NO/c1-12(2)6-3-5-11(9-12)17-7-4-8-18-10-13(14,15)16/h11,17H,3-10H2,1-2H3.
What are the key properties of 3,3-dimethyl-N-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexan-1-amine?
3,3-dimethyl-N-[3-(2,2,2-trifluoroethoxy)propyl]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 3,3-dimethyl-N-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexan-1-amine is sourced from PubChem (CID 81421182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).