N-methyl-2-propan-2-yl-4-(trifluoromethyl)oxan-4-amine

C10H18F3NO — CID 66205971

IUPACN-methyl-2-propan-2-yl-4-(trifluoromethyl)oxan-4-amine
SMILESCNC1(C(F)(F)F)CCOC(C(C)C)C1
InChIInChI=1S/C10H18F3NO/c1-7(2)8-6-9(14-3,4-5-15-8)10(11,12)13/h7-8,14H,4-6H2,1-3H3
InChIKeyKQHBZOLTTIEURF-UHFFFAOYSA-N
MW225.25 g/mol
LogP2.34
Rot. Bonds2

About N-methyl-2-propan-2-yl-4-(trifluoromethyl)oxan-4-amine

N-methyl-2-propan-2-yl-4-(trifluoromethyl)oxan-4-amine (PubChem CID 66205971) has the molecular formula C10H18F3NO and a molecular weight of 225.25 g/mol. Its IUPAC name is N-methyl-2-propan-2-yl-4-(trifluoromethyl)oxan-4-amine.

Molecular Properties

Compound NameN-methyl-2-propan-2-yl-4-(trifluoromethyl)oxan-4-amine
PubChem CID66205971
Molecular FormulaC10H18F3NO
Molecular Weight225.25 g/mol
Exact Mass225.13
IUPAC NameN-methyl-2-propan-2-yl-4-(trifluoromethyl)oxan-4-amine
SMILESCNC1(C(F)(F)F)CCOC(C(C)C)C1
InChIInChI=1S/C10H18F3NO/c1-7(2)8-6-9(14-3,4-5-15-8)10(11,12)13/h7-8,14H,4-6H2,1-3H3
InChIKeyKQHBZOLTTIEURF-UHFFFAOYSA-N
XLogP2.34
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 ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-propan-2-yl-4-(trifluoromethyl)oxan-4-amine?
The IUPAC name of N-methyl-2-propan-2-yl-4-(trifluoromethyl)oxan-4-amine (CID 66205971) is N-methyl-2-propan-2-yl-4-(trifluoromethyl)oxan-4-amine.
What is the SMILES notation for N-methyl-2-propan-2-yl-4-(trifluoromethyl)oxan-4-amine?
The canonical SMILES for N-methyl-2-propan-2-yl-4-(trifluoromethyl)oxan-4-amine is CNC1(C(F)(F)F)CCOC(C(C)C)C1.
What is the InChIKey of N-methyl-2-propan-2-yl-4-(trifluoromethyl)oxan-4-amine?
The InChIKey is KQHBZOLTTIEURF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO/c1-7(2)8-6-9(14-3,4-5-15-8)10(11,12)13/h7-8,14H,4-6H2,1-3H3.
What are the key properties of N-methyl-2-propan-2-yl-4-(trifluoromethyl)oxan-4-amine?
N-methyl-2-propan-2-yl-4-(trifluoromethyl)oxan-4-amine has a molecular weight of 225.25 g/mol, XLogP of 2.34, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-propan-2-yl-4-(trifluoromethyl)oxan-4-amine is sourced from PubChem (CID 66205971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).