4-tert-butyl-N-methyl-1-(trifluoromethyl)cycloheptan-1-amine

C13H24F3N — CID 66206980

IUPAC4-tert-butyl-N-methyl-1-(trifluoromethyl)cycloheptan-1-amine
SMILESCNC1(C(F)(F)F)CCCC(C(C)(C)C)CC1
InChIInChI=1S/C13H24F3N/c1-11(2,3)10-6-5-8-12(17-4,9-7-10)13(14,15)16/h10,17H,5-9H2,1-4H3
InChIKeyZDKAYGAYSAGZHP-UHFFFAOYSA-N
MW251.34 g/mol
LogP4.13
Rot. Bonds1

About 4-tert-butyl-N-methyl-1-(trifluoromethyl)cycloheptan-1-amine

4-tert-butyl-N-methyl-1-(trifluoromethyl)cycloheptan-1-amine (PubChem CID 66206980) has the molecular formula C13H24F3N and a molecular weight of 251.34 g/mol. Its IUPAC name is 4-tert-butyl-N-methyl-1-(trifluoromethyl)cycloheptan-1-amine.

Molecular Properties

Compound Name4-tert-butyl-N-methyl-1-(trifluoromethyl)cycloheptan-1-amine
PubChem CID66206980
Molecular FormulaC13H24F3N
Molecular Weight251.34 g/mol
Exact Mass251.19
IUPAC Name4-tert-butyl-N-methyl-1-(trifluoromethyl)cycloheptan-1-amine
SMILESCNC1(C(F)(F)F)CCCC(C(C)(C)C)CC1
InChIInChI=1S/C13H24F3N/c1-11(2,3)10-6-5-8-12(17-4,9-7-10)13(14,15)16/h10,17H,5-9H2,1-4H3
InChIKeyZDKAYGAYSAGZHP-UHFFFAOYSA-N
XLogP4.13
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.34
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-methyl-1-(trifluoromethyl)cycloheptan-1-amine?
The IUPAC name of 4-tert-butyl-N-methyl-1-(trifluoromethyl)cycloheptan-1-amine (CID 66206980) is 4-tert-butyl-N-methyl-1-(trifluoromethyl)cycloheptan-1-amine.
What is the SMILES notation for 4-tert-butyl-N-methyl-1-(trifluoromethyl)cycloheptan-1-amine?
The canonical SMILES for 4-tert-butyl-N-methyl-1-(trifluoromethyl)cycloheptan-1-amine is CNC1(C(F)(F)F)CCCC(C(C)(C)C)CC1.
What is the InChIKey of 4-tert-butyl-N-methyl-1-(trifluoromethyl)cycloheptan-1-amine?
The InChIKey is ZDKAYGAYSAGZHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F3N/c1-11(2,3)10-6-5-8-12(17-4,9-7-10)13(14,15)16/h10,17H,5-9H2,1-4H3.
What are the key properties of 4-tert-butyl-N-methyl-1-(trifluoromethyl)cycloheptan-1-amine?
4-tert-butyl-N-methyl-1-(trifluoromethyl)cycloheptan-1-amine has a molecular weight of 251.34 g/mol, XLogP of 4.13, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-methyl-1-(trifluoromethyl)cycloheptan-1-amine is sourced from PubChem (CID 66206980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).