2-ethyl-2-methyl-N-propyl-4-(trifluoromethyl)oxan-4-amine

C12H22F3NO — CID 66204769

IUPAC2-ethyl-2-methyl-N-propyl-4-(trifluoromethyl)oxan-4-amine
SMILESCCCNC1(C(F)(F)F)CCOC(C)(CC)C1
InChIInChI=1S/C12H22F3NO/c1-4-7-16-11(12(13,14)15)6-8-17-10(3,5-2)9-11/h16H,4-9H2,1-3H3
InChIKeyRZYMZMLDPAJNGV-UHFFFAOYSA-N
MW253.31 g/mol
LogP3.27
Rot. Bonds4

About 2-ethyl-2-methyl-N-propyl-4-(trifluoromethyl)oxan-4-amine

2-ethyl-2-methyl-N-propyl-4-(trifluoromethyl)oxan-4-amine (PubChem CID 66204769) has the molecular formula C12H22F3NO and a molecular weight of 253.31 g/mol. Its IUPAC name is 2-ethyl-2-methyl-N-propyl-4-(trifluoromethyl)oxan-4-amine.

Molecular Properties

Compound Name2-ethyl-2-methyl-N-propyl-4-(trifluoromethyl)oxan-4-amine
PubChem CID66204769
Molecular FormulaC12H22F3NO
Molecular Weight253.31 g/mol
Exact Mass253.17
IUPAC Name2-ethyl-2-methyl-N-propyl-4-(trifluoromethyl)oxan-4-amine
SMILESCCCNC1(C(F)(F)F)CCOC(C)(CC)C1
InChIInChI=1S/C12H22F3NO/c1-4-7-16-11(12(13,14)15)6-8-17-10(3,5-2)9-11/h16H,4-9H2,1-3H3
InChIKeyRZYMZMLDPAJNGV-UHFFFAOYSA-N
XLogP3.27
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-methyl-N-propyl-4-(trifluoromethyl)oxan-4-amine?
The IUPAC name of 2-ethyl-2-methyl-N-propyl-4-(trifluoromethyl)oxan-4-amine (CID 66204769) is 2-ethyl-2-methyl-N-propyl-4-(trifluoromethyl)oxan-4-amine.
What is the SMILES notation for 2-ethyl-2-methyl-N-propyl-4-(trifluoromethyl)oxan-4-amine?
The canonical SMILES for 2-ethyl-2-methyl-N-propyl-4-(trifluoromethyl)oxan-4-amine is CCCNC1(C(F)(F)F)CCOC(C)(CC)C1.
What is the InChIKey of 2-ethyl-2-methyl-N-propyl-4-(trifluoromethyl)oxan-4-amine?
The InChIKey is RZYMZMLDPAJNGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F3NO/c1-4-7-16-11(12(13,14)15)6-8-17-10(3,5-2)9-11/h16H,4-9H2,1-3H3.
What are the key properties of 2-ethyl-2-methyl-N-propyl-4-(trifluoromethyl)oxan-4-amine?
2-ethyl-2-methyl-N-propyl-4-(trifluoromethyl)oxan-4-amine has a molecular weight of 253.31 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-methyl-N-propyl-4-(trifluoromethyl)oxan-4-amine is sourced from PubChem (CID 66204769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).