N-[2-(3,5-dimethylcyclohexyl)oxyethyl]-2,2,2-trifluoroethanamine

C12H22F3NO — CID 64731235

IUPACN-[2-(3,5-dimethylcyclohexyl)oxyethyl]-2,2,2-trifluoroethanamine
SMILESCC1CC(C)CC(OCCNCC(F)(F)F)C1
InChIInChI=1S/C12H22F3NO/c1-9-5-10(2)7-11(6-9)17-4-3-16-8-12(13,14)15/h9-11,16H,3-8H2,1-2H3
InChIKeyXHJXPSSBEUAMCF-UHFFFAOYSA-N
MW253.31 g/mol
LogP2.98
Rot. Bonds5

About N-[2-(3,5-dimethylcyclohexyl)oxyethyl]-2,2,2-trifluoroethanamine

N-[2-(3,5-dimethylcyclohexyl)oxyethyl]-2,2,2-trifluoroethanamine (PubChem CID 64731235) has the molecular formula C12H22F3NO and a molecular weight of 253.31 g/mol. Its IUPAC name is N-[2-(3,5-dimethylcyclohexyl)oxyethyl]-2,2,2-trifluoroethanamine.

Molecular Properties

Compound NameN-[2-(3,5-dimethylcyclohexyl)oxyethyl]-2,2,2-trifluoroethanamine
PubChem CID64731235
Molecular FormulaC12H22F3NO
Molecular Weight253.31 g/mol
Exact Mass253.17
IUPAC NameN-[2-(3,5-dimethylcyclohexyl)oxyethyl]-2,2,2-trifluoroethanamine
SMILESCC1CC(C)CC(OCCNCC(F)(F)F)C1
InChIInChI=1S/C12H22F3NO/c1-9-5-10(2)7-11(6-9)17-4-3-16-8-12(13,14)15/h9-11,16H,3-8H2,1-2H3
InChIKeyXHJXPSSBEUAMCF-UHFFFAOYSA-N
XLogP2.98
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 52.98
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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Related Compounds

N-[2-(3,5-dimethylcyclohexyl)oxyethyl]-3,3-dimethylbutan-1-amine
CID 64731413
2,2,2-trifluoro-N-[2-(oxan-4-yloxy)ethyl]ethanamine
CID 62584985
N-[2-(3,5-dimethylcyclohexyl)oxyethyl]propan-2-amine
CID 64730061
2-(3,5-dimethylcyclohexyl)oxy-N-(oxolan-3-ylmethyl)ethanamine
CID 64731405
3-(3,5-dimethylcyclohexyl)oxypropanal
CID 64729407
4-(3,5-dimethylcyclohexyl)oxy-N-(2-methylpropyl)butan-1-amine
CID 64729623
N-[2-(3,5-dimethylcyclohexyl)oxyethyl]pentan-2-amine
CID 64731424
5-(3,5-dimethylcyclohexyl)oxy-N-propan-2-ylpentan-1-amine
CID 64731034
N-(2-cyclopentyloxyethyl)-2,2-dimethylpropan-1-amine
CID 63001166
1-(2-cyclopentyloxyethylamino)-2-methylpropan-2-ol
CID 63826434
N-[2-(3,5-dimethylcyclohexyl)oxyethyl]-1,1-dioxothiolan-3-amine
CID 64728846
2,2,2-trifluoro-N-[2-(2-methylbutan-2-yloxy)ethyl]ethanamine
CID 62597446

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethylcyclohexyl)oxyethyl]-2,2,2-trifluoroethanamine?
The IUPAC name of N-[2-(3,5-dimethylcyclohexyl)oxyethyl]-2,2,2-trifluoroethanamine (CID 64731235) is N-[2-(3,5-dimethylcyclohexyl)oxyethyl]-2,2,2-trifluoroethanamine.
What is the SMILES notation for N-[2-(3,5-dimethylcyclohexyl)oxyethyl]-2,2,2-trifluoroethanamine?
The canonical SMILES for N-[2-(3,5-dimethylcyclohexyl)oxyethyl]-2,2,2-trifluoroethanamine is CC1CC(C)CC(OCCNCC(F)(F)F)C1.
What is the InChIKey of N-[2-(3,5-dimethylcyclohexyl)oxyethyl]-2,2,2-trifluoroethanamine?
The InChIKey is XHJXPSSBEUAMCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F3NO/c1-9-5-10(2)7-11(6-9)17-4-3-16-8-12(13,14)15/h9-11,16H,3-8H2,1-2H3.
What are the key properties of N-[2-(3,5-dimethylcyclohexyl)oxyethyl]-2,2,2-trifluoroethanamine?
N-[2-(3,5-dimethylcyclohexyl)oxyethyl]-2,2,2-trifluoroethanamine has a molecular weight of 253.31 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethylcyclohexyl)oxyethyl]-2,2,2-trifluoroethanamine is sourced from PubChem (CID 64731235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).