3,5-dimethyl-N-(2,2,2-trifluoroethoxy)cyclohexan-1-amine

C10H18F3NO — CID 82711229

IUPAC3,5-dimethyl-N-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
SMILESCC1CC(C)CC(NOCC(F)(F)F)C1
InChIInChI=1S/C10H18F3NO/c1-7-3-8(2)5-9(4-7)14-15-6-10(11,12)13/h7-9,14H,3-6H2,1-2H3
InChIKeyGTUJBDPRSRLUJM-UHFFFAOYSA-N
MW225.25 g/mol
LogP2.89
Rot. Bonds3

About 3,5-dimethyl-N-(2,2,2-trifluoroethoxy)cyclohexan-1-amine

3,5-dimethyl-N-(2,2,2-trifluoroethoxy)cyclohexan-1-amine (PubChem CID 82711229) has the molecular formula C10H18F3NO and a molecular weight of 225.25 g/mol. Its IUPAC name is 3,5-dimethyl-N-(2,2,2-trifluoroethoxy)cyclohexan-1-amine.

Molecular Properties

Compound Name3,5-dimethyl-N-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
PubChem CID82711229
Molecular FormulaC10H18F3NO
Molecular Weight225.25 g/mol
Exact Mass225.13
IUPAC Name3,5-dimethyl-N-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
SMILESCC1CC(C)CC(NOCC(F)(F)F)C1
InChIInChI=1S/C10H18F3NO/c1-7-3-8(2)5-9(4-7)14-15-6-10(11,12)13/h7-9,14H,3-6H2,1-2H3
InChIKeyGTUJBDPRSRLUJM-UHFFFAOYSA-N
XLogP2.89
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-(2,2,2-trifluoroethoxy)cyclohexan-1-amine?
The IUPAC name of 3,5-dimethyl-N-(2,2,2-trifluoroethoxy)cyclohexan-1-amine (CID 82711229) is 3,5-dimethyl-N-(2,2,2-trifluoroethoxy)cyclohexan-1-amine.
What is the SMILES notation for 3,5-dimethyl-N-(2,2,2-trifluoroethoxy)cyclohexan-1-amine?
The canonical SMILES for 3,5-dimethyl-N-(2,2,2-trifluoroethoxy)cyclohexan-1-amine is CC1CC(C)CC(NOCC(F)(F)F)C1.
What is the InChIKey of 3,5-dimethyl-N-(2,2,2-trifluoroethoxy)cyclohexan-1-amine?
The InChIKey is GTUJBDPRSRLUJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO/c1-7-3-8(2)5-9(4-7)14-15-6-10(11,12)13/h7-9,14H,3-6H2,1-2H3.
What are the key properties of 3,5-dimethyl-N-(2,2,2-trifluoroethoxy)cyclohexan-1-amine?
3,5-dimethyl-N-(2,2,2-trifluoroethoxy)cyclohexan-1-amine has a molecular weight of 225.25 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-(2,2,2-trifluoroethoxy)cyclohexan-1-amine is sourced from PubChem (CID 82711229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).