N-ethyl-2,2-dimethyl-4-(trifluoromethyl)oxan-4-amine

C10H18F3NO — CID 66206183

IUPACN-ethyl-2,2-dimethyl-4-(trifluoromethyl)oxan-4-amine
SMILESCCNC1(C(F)(F)F)CCOC(C)(C)C1
InChIInChI=1S/C10H18F3NO/c1-4-14-9(10(11,12)13)5-6-15-8(2,3)7-9/h14H,4-7H2,1-3H3
InChIKeyISCIMKNMUIPSRQ-UHFFFAOYSA-N
MW225.25 g/mol
LogP2.49
Rot. Bonds2

About N-ethyl-2,2-dimethyl-4-(trifluoromethyl)oxan-4-amine

N-ethyl-2,2-dimethyl-4-(trifluoromethyl)oxan-4-amine (PubChem CID 66206183) has the molecular formula C10H18F3NO and a molecular weight of 225.25 g/mol. Its IUPAC name is N-ethyl-2,2-dimethyl-4-(trifluoromethyl)oxan-4-amine.

Molecular Properties

Compound NameN-ethyl-2,2-dimethyl-4-(trifluoromethyl)oxan-4-amine
PubChem CID66206183
Molecular FormulaC10H18F3NO
Molecular Weight225.25 g/mol
Exact Mass225.13
IUPAC NameN-ethyl-2,2-dimethyl-4-(trifluoromethyl)oxan-4-amine
SMILESCCNC1(C(F)(F)F)CCOC(C)(C)C1
InChIInChI=1S/C10H18F3NO/c1-4-14-9(10(11,12)13)5-6-15-8(2,3)7-9/h14H,4-7H2,1-3H3
InChIKeyISCIMKNMUIPSRQ-UHFFFAOYSA-N
XLogP2.49
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-ethyl-2,2-dimethyl-4-(trifluoromethyl)oxan-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2,2-dimethyl-4-(trifluoromethyl)oxan-4-amine?
The IUPAC name of N-ethyl-2,2-dimethyl-4-(trifluoromethyl)oxan-4-amine (CID 66206183) is N-ethyl-2,2-dimethyl-4-(trifluoromethyl)oxan-4-amine.
What is the SMILES notation for N-ethyl-2,2-dimethyl-4-(trifluoromethyl)oxan-4-amine?
The canonical SMILES for N-ethyl-2,2-dimethyl-4-(trifluoromethyl)oxan-4-amine is CCNC1(C(F)(F)F)CCOC(C)(C)C1.
What is the InChIKey of N-ethyl-2,2-dimethyl-4-(trifluoromethyl)oxan-4-amine?
The InChIKey is ISCIMKNMUIPSRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO/c1-4-14-9(10(11,12)13)5-6-15-8(2,3)7-9/h14H,4-7H2,1-3H3.
What are the key properties of N-ethyl-2,2-dimethyl-4-(trifluoromethyl)oxan-4-amine?
N-ethyl-2,2-dimethyl-4-(trifluoromethyl)oxan-4-amine has a molecular weight of 225.25 g/mol, XLogP of 2.49, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2,2-dimethyl-4-(trifluoromethyl)oxan-4-amine is sourced from PubChem (CID 66206183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).