1-[4-tert-butyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]-N-methylmethanamine

C14H26F3NO — CID 55036822

IUPAC1-[4-tert-butyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]-N-methylmethanamine
SMILESCNCC1(OCC(F)(F)F)CCC(C(C)(C)C)CC1
InChIInChI=1S/C14H26F3NO/c1-12(2,3)11-5-7-13(8-6-11,9-18-4)19-10-14(15,16)17/h11,18H,5-10H2,1-4H3
InChIKeyBVJDKCVBPGMZEA-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.76
Rot. Bonds4

About 1-[4-tert-butyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]-N-methylmethanamine

1-[4-tert-butyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]-N-methylmethanamine (PubChem CID 55036822) has the molecular formula C14H26F3NO and a molecular weight of 281.36 g/mol. Its IUPAC name is 1-[4-tert-butyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-tert-butyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]-N-methylmethanamine
PubChem CID55036822
Molecular FormulaC14H26F3NO
Molecular Weight281.36 g/mol
Exact Mass281.20
IUPAC Name1-[4-tert-butyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]-N-methylmethanamine
SMILESCNCC1(OCC(F)(F)F)CCC(C(C)(C)C)CC1
InChIInChI=1S/C14H26F3NO/c1-12(2,3)11-5-7-13(8-6-11,9-18-4)19-10-14(15,16)17/h11,18H,5-10H2,1-4H3
InChIKeyBVJDKCVBPGMZEA-UHFFFAOYSA-N
XLogP3.76
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[4-tert-butyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]-N-methylmethanamine?
The IUPAC name of 1-[4-tert-butyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]-N-methylmethanamine (CID 55036822) is 1-[4-tert-butyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]-N-methylmethanamine.
What is the SMILES notation for 1-[4-tert-butyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]-N-methylmethanamine?
The canonical SMILES for 1-[4-tert-butyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]-N-methylmethanamine is CNCC1(OCC(F)(F)F)CCC(C(C)(C)C)CC1.
What is the InChIKey of 1-[4-tert-butyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]-N-methylmethanamine?
The InChIKey is BVJDKCVBPGMZEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26F3NO/c1-12(2,3)11-5-7-13(8-6-11,9-18-4)19-10-14(15,16)17/h11,18H,5-10H2,1-4H3.
What are the key properties of 1-[4-tert-butyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]-N-methylmethanamine?
1-[4-tert-butyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]-N-methylmethanamine has a molecular weight of 281.36 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-tert-butyl-1-(2,2,2-trifluoroethoxy)cyclohexyl]-N-methylmethanamine is sourced from PubChem (CID 55036822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).