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

C16H31F3N2 — CID 62610479

IUPAC4-tert-butyl-2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-N-methylcyclohexan-1-amine
SMILESCCN(CC1CC(C(C)(C)C)CCC1NC)CC(F)(F)F
InChIInChI=1S/C16H31F3N2/c1-6-21(11-16(17,18)19)10-12-9-13(15(2,3)4)7-8-14(12)20-5/h12-14,20H,6-11H2,1-5H3
InChIKeyQXWJJFRLYIICJB-UHFFFAOYSA-N
MW308.43 g/mol
LogP3.92
Rot. Bonds5

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

4-tert-butyl-2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-N-methylcyclohexan-1-amine (PubChem CID 62610479) has the molecular formula C16H31F3N2 and a molecular weight of 308.43 g/mol. Its IUPAC name is 4-tert-butyl-2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-N-methylcyclohexan-1-amine.

Molecular Properties

Compound Name4-tert-butyl-2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-N-methylcyclohexan-1-amine
PubChem CID62610479
Molecular FormulaC16H31F3N2
Molecular Weight308.43 g/mol
Exact Mass308.24
IUPAC Name4-tert-butyl-2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-N-methylcyclohexan-1-amine
SMILESCCN(CC1CC(C(C)(C)C)CCC1NC)CC(F)(F)F
InChIInChI=1S/C16H31F3N2/c1-6-21(11-16(17,18)19)10-12-9-13(15(2,3)4)7-8-14(12)20-5/h12-14,20H,6-11H2,1-5H3
InChIKeyQXWJJFRLYIICJB-UHFFFAOYSA-N
XLogP3.92
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.43
LogP ≤ 53.92
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]-N-methylcyclohexan-1-amine?
The IUPAC name of 4-tert-butyl-2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-N-methylcyclohexan-1-amine (CID 62610479) is 4-tert-butyl-2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-N-methylcyclohexan-1-amine.
What is the SMILES notation for 4-tert-butyl-2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-N-methylcyclohexan-1-amine?
The canonical SMILES for 4-tert-butyl-2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-N-methylcyclohexan-1-amine is CCN(CC1CC(C(C)(C)C)CCC1NC)CC(F)(F)F.
What is the InChIKey of 4-tert-butyl-2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-N-methylcyclohexan-1-amine?
The InChIKey is QXWJJFRLYIICJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31F3N2/c1-6-21(11-16(17,18)19)10-12-9-13(15(2,3)4)7-8-14(12)20-5/h12-14,20H,6-11H2,1-5H3.
What are the key properties of 4-tert-butyl-2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-N-methylcyclohexan-1-amine?
4-tert-butyl-2-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]-N-methylcyclohexan-1-amine has a molecular weight of 308.43 g/mol, XLogP of 3.92, 5 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]-N-methylcyclohexan-1-amine is sourced from PubChem (CID 62610479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).