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

C14H26F3NO — CID 65389392

IUPAC[4,4-dimethyl-1-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexyl]methanamine
SMILESCC1(C)CCC(CN)(CCCOCC(F)(F)F)CC1
InChIInChI=1S/C14H26F3NO/c1-12(2)5-7-13(10-18,8-6-12)4-3-9-19-11-14(15,16)17/h3-11,18H2,1-2H3
InChIKeyIZRFOGHBOLBEFG-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.89
Rot. Bonds6

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

[4,4-dimethyl-1-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexyl]methanamine (PubChem CID 65389392) has the molecular formula C14H26F3NO and a molecular weight of 281.36 g/mol. Its IUPAC name is [4,4-dimethyl-1-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexyl]methanamine.

Molecular Properties

Compound Name[4,4-dimethyl-1-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexyl]methanamine
PubChem CID65389392
Molecular FormulaC14H26F3NO
Molecular Weight281.36 g/mol
Exact Mass281.20
IUPAC Name[4,4-dimethyl-1-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexyl]methanamine
SMILESCC1(C)CCC(CN)(CCCOCC(F)(F)F)CC1
InChIInChI=1S/C14H26F3NO/c1-12(2)5-7-13(10-18,8-6-12)4-3-9-19-11-14(15,16)17/h3-11,18H2,1-2H3
InChIKeyIZRFOGHBOLBEFG-UHFFFAOYSA-N
XLogP3.89
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.89
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 [4,4-dimethyl-1-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexyl]methanamine?
The IUPAC name of [4,4-dimethyl-1-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexyl]methanamine (CID 65389392) is [4,4-dimethyl-1-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexyl]methanamine.
What is the SMILES notation for [4,4-dimethyl-1-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexyl]methanamine?
The canonical SMILES for [4,4-dimethyl-1-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexyl]methanamine is CC1(C)CCC(CN)(CCCOCC(F)(F)F)CC1.
What is the InChIKey of [4,4-dimethyl-1-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexyl]methanamine?
The InChIKey is IZRFOGHBOLBEFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26F3NO/c1-12(2)5-7-13(10-18,8-6-12)4-3-9-19-11-14(15,16)17/h3-11,18H2,1-2H3.
What are the key properties of [4,4-dimethyl-1-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexyl]methanamine?
[4,4-dimethyl-1-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexyl]methanamine has a molecular weight of 281.36 g/mol, XLogP of 3.89, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4,4-dimethyl-1-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexyl]methanamine is sourced from PubChem (CID 65389392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).