[4,4-dimethyl-1-[3-(2,2,2-trifluoroethoxy)propoxy]cyclohexyl]methanamine

C14H26F3NO2 — CID 65050848

IUPAC[4,4-dimethyl-1-[3-(2,2,2-trifluoroethoxy)propoxy]cyclohexyl]methanamine
SMILESCC1(C)CCC(CN)(OCCCOCC(F)(F)F)CC1
InChIInChI=1S/C14H26F3NO2/c1-12(2)4-6-13(10-18,7-5-12)20-9-3-8-19-11-14(15,16)17/h3-11,18H2,1-2H3
InChIKeyNGILLJYGLNMPAY-UHFFFAOYSA-N
MW297.36 g/mol
LogP3.27
Rot. Bonds7

About [4,4-dimethyl-1-[3-(2,2,2-trifluoroethoxy)propoxy]cyclohexyl]methanamine

[4,4-dimethyl-1-[3-(2,2,2-trifluoroethoxy)propoxy]cyclohexyl]methanamine (PubChem CID 65050848) has the molecular formula C14H26F3NO2 and a molecular weight of 297.36 g/mol. Its IUPAC name is [4,4-dimethyl-1-[3-(2,2,2-trifluoroethoxy)propoxy]cyclohexyl]methanamine.

Molecular Properties

Compound Name[4,4-dimethyl-1-[3-(2,2,2-trifluoroethoxy)propoxy]cyclohexyl]methanamine
PubChem CID65050848
Molecular FormulaC14H26F3NO2
Molecular Weight297.36 g/mol
Exact Mass297.19
IUPAC Name[4,4-dimethyl-1-[3-(2,2,2-trifluoroethoxy)propoxy]cyclohexyl]methanamine
SMILESCC1(C)CCC(CN)(OCCCOCC(F)(F)F)CC1
InChIInChI=1S/C14H26F3NO2/c1-12(2)4-6-13(10-18,7-5-12)20-9-3-8-19-11-14(15,16)17/h3-11,18H2,1-2H3
InChIKeyNGILLJYGLNMPAY-UHFFFAOYSA-N
XLogP3.27
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 [4,4-dimethyl-1-[3-(2,2,2-trifluoroethoxy)propoxy]cyclohexyl]methanamine?
The IUPAC name of [4,4-dimethyl-1-[3-(2,2,2-trifluoroethoxy)propoxy]cyclohexyl]methanamine (CID 65050848) is [4,4-dimethyl-1-[3-(2,2,2-trifluoroethoxy)propoxy]cyclohexyl]methanamine.
What is the SMILES notation for [4,4-dimethyl-1-[3-(2,2,2-trifluoroethoxy)propoxy]cyclohexyl]methanamine?
The canonical SMILES for [4,4-dimethyl-1-[3-(2,2,2-trifluoroethoxy)propoxy]cyclohexyl]methanamine is CC1(C)CCC(CN)(OCCCOCC(F)(F)F)CC1.
What is the InChIKey of [4,4-dimethyl-1-[3-(2,2,2-trifluoroethoxy)propoxy]cyclohexyl]methanamine?
The InChIKey is NGILLJYGLNMPAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26F3NO2/c1-12(2)4-6-13(10-18,7-5-12)20-9-3-8-19-11-14(15,16)17/h3-11,18H2,1-2H3.
What are the key properties of [4,4-dimethyl-1-[3-(2,2,2-trifluoroethoxy)propoxy]cyclohexyl]methanamine?
[4,4-dimethyl-1-[3-(2,2,2-trifluoroethoxy)propoxy]cyclohexyl]methanamine has a molecular weight of 297.36 g/mol, XLogP of 3.27, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4,4-dimethyl-1-[3-(2,2,2-trifluoroethoxy)propoxy]cyclohexyl]methanamine is sourced from PubChem (CID 65050848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).