4-tert-butyl-2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-amine

C15H29F3N2 — CID 62610478

IUPAC4-tert-butyl-2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-amine
SMILESCCN(CC1CC(C(C)(C)C)CCC1N)CC(F)(F)F
InChIInChI=1S/C15H29F3N2/c1-5-20(10-15(16,17)18)9-11-8-12(14(2,3)4)6-7-13(11)19/h11-13H,5-10,19H2,1-4H3
InChIKeyVERTXYSEINOMNF-UHFFFAOYSA-N
MW294.41 g/mol
LogP3.66
Rot. Bonds4

About 4-tert-butyl-2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-amine

4-tert-butyl-2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-amine (PubChem CID 62610478) has the molecular formula C15H29F3N2 and a molecular weight of 294.41 g/mol. Its IUPAC name is 4-tert-butyl-2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name4-tert-butyl-2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-amine
PubChem CID62610478
Molecular FormulaC15H29F3N2
Molecular Weight294.41 g/mol
Exact Mass294.23
IUPAC Name4-tert-butyl-2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-amine
SMILESCCN(CC1CC(C(C)(C)C)CCC1N)CC(F)(F)F
InChIInChI=1S/C15H29F3N2/c1-5-20(10-15(16,17)18)9-11-8-12(14(2,3)4)6-7-13(11)19/h11-13H,5-10,19H2,1-4H3
InChIKeyVERTXYSEINOMNF-UHFFFAOYSA-N
XLogP3.66
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.41
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-amine?
The IUPAC name of 4-tert-butyl-2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-amine (CID 62610478) is 4-tert-butyl-2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-amine.
What is the SMILES notation for 4-tert-butyl-2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-amine?
The canonical SMILES for 4-tert-butyl-2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-amine is CCN(CC1CC(C(C)(C)C)CCC1N)CC(F)(F)F.
What is the InChIKey of 4-tert-butyl-2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-amine?
The InChIKey is VERTXYSEINOMNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29F3N2/c1-5-20(10-15(16,17)18)9-11-8-12(14(2,3)4)6-7-13(11)19/h11-13H,5-10,19H2,1-4H3.
What are the key properties of 4-tert-butyl-2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-amine?
4-tert-butyl-2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-amine has a molecular weight of 294.41 g/mol, XLogP of 3.66, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-amine is sourced from PubChem (CID 62610478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).