N-tert-butyl-4,4-dimethyl-N-(2,2,2-trifluoroethyl)pentan-2-amine

C13H26F3N — CID 167383601

IUPACN-tert-butyl-4,4-dimethyl-N-(2,2,2-trifluoroethyl)pentan-2-amine
SMILESCC(CC(C)(C)C)N(CC(F)(F)F)C(C)(C)C
InChIInChI=1S/C13H26F3N/c1-10(8-11(2,3)4)17(12(5,6)7)9-13(14,15)16/h10H,8-9H2,1-7H3
InChIKeyHMSVJYXEZILAMO-UHFFFAOYSA-N
MW253.35 g/mol
LogP4.47
Rot. Bonds3

About N-tert-butyl-4,4-dimethyl-N-(2,2,2-trifluoroethyl)pentan-2-amine

N-tert-butyl-4,4-dimethyl-N-(2,2,2-trifluoroethyl)pentan-2-amine (PubChem CID 167383601) has the molecular formula C13H26F3N and a molecular weight of 253.35 g/mol. Its IUPAC name is N-tert-butyl-4,4-dimethyl-N-(2,2,2-trifluoroethyl)pentan-2-amine.

Molecular Properties

Compound NameN-tert-butyl-4,4-dimethyl-N-(2,2,2-trifluoroethyl)pentan-2-amine
PubChem CID167383601
Molecular FormulaC13H26F3N
Molecular Weight253.35 g/mol
Exact Mass253.20
IUPAC NameN-tert-butyl-4,4-dimethyl-N-(2,2,2-trifluoroethyl)pentan-2-amine
SMILESCC(CC(C)(C)C)N(CC(F)(F)F)C(C)(C)C
InChIInChI=1S/C13H26F3N/c1-10(8-11(2,3)4)17(12(5,6)7)9-13(14,15)16/h10H,8-9H2,1-7H3
InChIKeyHMSVJYXEZILAMO-UHFFFAOYSA-N
XLogP4.47
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4,4-dimethyl-N-(2,2,2-trifluoroethyl)pentan-2-amine?
The IUPAC name of N-tert-butyl-4,4-dimethyl-N-(2,2,2-trifluoroethyl)pentan-2-amine (CID 167383601) is N-tert-butyl-4,4-dimethyl-N-(2,2,2-trifluoroethyl)pentan-2-amine.
What is the SMILES notation for N-tert-butyl-4,4-dimethyl-N-(2,2,2-trifluoroethyl)pentan-2-amine?
The canonical SMILES for N-tert-butyl-4,4-dimethyl-N-(2,2,2-trifluoroethyl)pentan-2-amine is CC(CC(C)(C)C)N(CC(F)(F)F)C(C)(C)C.
What is the InChIKey of N-tert-butyl-4,4-dimethyl-N-(2,2,2-trifluoroethyl)pentan-2-amine?
The InChIKey is HMSVJYXEZILAMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26F3N/c1-10(8-11(2,3)4)17(12(5,6)7)9-13(14,15)16/h10H,8-9H2,1-7H3.
What are the key properties of N-tert-butyl-4,4-dimethyl-N-(2,2,2-trifluoroethyl)pentan-2-amine?
N-tert-butyl-4,4-dimethyl-N-(2,2,2-trifluoroethyl)pentan-2-amine has a molecular weight of 253.35 g/mol, XLogP of 4.47, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4,4-dimethyl-N-(2,2,2-trifluoroethyl)pentan-2-amine is sourced from PubChem (CID 167383601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).