2-methyl-N-propan-2-yl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pentan-1-amine

C13H26F3NO — CID 62726228

IUPAC2-methyl-N-propan-2-yl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pentan-1-amine
SMILESCCCC(C)(CCOCC(F)(F)F)CNC(C)C
InChIInChI=1S/C13H26F3NO/c1-5-6-12(4,9-17-11(2)3)7-8-18-10-13(14,15)16/h11,17H,5-10H2,1-4H3
InChIKeyCKKHAGOBXMZXPX-UHFFFAOYSA-N
MW269.35 g/mol
LogP3.76
Rot. Bonds9

About 2-methyl-N-propan-2-yl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pentan-1-amine

2-methyl-N-propan-2-yl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pentan-1-amine (PubChem CID 62726228) has the molecular formula C13H26F3NO and a molecular weight of 269.35 g/mol. Its IUPAC name is 2-methyl-N-propan-2-yl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pentan-1-amine.

Molecular Properties

Compound Name2-methyl-N-propan-2-yl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pentan-1-amine
PubChem CID62726228
Molecular FormulaC13H26F3NO
Molecular Weight269.35 g/mol
Exact Mass269.20
IUPAC Name2-methyl-N-propan-2-yl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pentan-1-amine
SMILESCCCC(C)(CCOCC(F)(F)F)CNC(C)C
InChIInChI=1S/C13H26F3NO/c1-5-6-12(4,9-17-11(2)3)7-8-18-10-13(14,15)16/h11,17H,5-10H2,1-4H3
InChIKeyCKKHAGOBXMZXPX-UHFFFAOYSA-N
XLogP3.76
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-propan-2-yl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pentan-1-amine?
The IUPAC name of 2-methyl-N-propan-2-yl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pentan-1-amine (CID 62726228) is 2-methyl-N-propan-2-yl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pentan-1-amine.
What is the SMILES notation for 2-methyl-N-propan-2-yl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pentan-1-amine?
The canonical SMILES for 2-methyl-N-propan-2-yl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pentan-1-amine is CCCC(C)(CCOCC(F)(F)F)CNC(C)C.
What is the InChIKey of 2-methyl-N-propan-2-yl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pentan-1-amine?
The InChIKey is CKKHAGOBXMZXPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26F3NO/c1-5-6-12(4,9-17-11(2)3)7-8-18-10-13(14,15)16/h11,17H,5-10H2,1-4H3.
What are the key properties of 2-methyl-N-propan-2-yl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pentan-1-amine?
2-methyl-N-propan-2-yl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pentan-1-amine has a molecular weight of 269.35 g/mol, XLogP of 3.76, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-propan-2-yl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pentan-1-amine is sourced from PubChem (CID 62726228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).