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

C15H30F3NO — CID 62723630

IUPAC2-ethyl-N-propan-2-yl-2-[2-(2,2,2-trifluoroethoxy)ethyl]hexan-1-amine
SMILESCCCCC(CC)(CCOCC(F)(F)F)CNC(C)C
InChIInChI=1S/C15H30F3NO/c1-5-7-8-14(6-2,11-19-13(3)4)9-10-20-12-15(16,17)18/h13,19H,5-12H2,1-4H3
InChIKeyKLOWYFLBZRRLOG-UHFFFAOYSA-N
MW297.40 g/mol
LogP4.54
Rot. Bonds11

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

2-ethyl-N-propan-2-yl-2-[2-(2,2,2-trifluoroethoxy)ethyl]hexan-1-amine (PubChem CID 62723630) has the molecular formula C15H30F3NO and a molecular weight of 297.40 g/mol. Its IUPAC name is 2-ethyl-N-propan-2-yl-2-[2-(2,2,2-trifluoroethoxy)ethyl]hexan-1-amine.

Molecular Properties

Compound Name2-ethyl-N-propan-2-yl-2-[2-(2,2,2-trifluoroethoxy)ethyl]hexan-1-amine
PubChem CID62723630
Molecular FormulaC15H30F3NO
Molecular Weight297.40 g/mol
Exact Mass297.23
IUPAC Name2-ethyl-N-propan-2-yl-2-[2-(2,2,2-trifluoroethoxy)ethyl]hexan-1-amine
SMILESCCCCC(CC)(CCOCC(F)(F)F)CNC(C)C
InChIInChI=1S/C15H30F3NO/c1-5-7-8-14(6-2,11-19-13(3)4)9-10-20-12-15(16,17)18/h13,19H,5-12H2,1-4H3
InChIKeyKLOWYFLBZRRLOG-UHFFFAOYSA-N
XLogP4.54
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 54.54
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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Related Compounds

CID 97320972
CID 97320972
CID 54961720
CID 54961720
CID 54961721
CID 54961721
CID 54962221
CID 54962221
CID 54962222
CID 54962222
CID 54962223
CID 54962223
CID 55083057
CID 55083057
CID 55083200
CID 55083200
CID 55083389
CID 55083389
CID 55083489
CID 55083489
CID 55090935
CID 55090935
CID 55094981
CID 55094981

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-propan-2-yl-2-[2-(2,2,2-trifluoroethoxy)ethyl]hexan-1-amine?
The IUPAC name of 2-ethyl-N-propan-2-yl-2-[2-(2,2,2-trifluoroethoxy)ethyl]hexan-1-amine (CID 62723630) is 2-ethyl-N-propan-2-yl-2-[2-(2,2,2-trifluoroethoxy)ethyl]hexan-1-amine.
What is the SMILES notation for 2-ethyl-N-propan-2-yl-2-[2-(2,2,2-trifluoroethoxy)ethyl]hexan-1-amine?
The canonical SMILES for 2-ethyl-N-propan-2-yl-2-[2-(2,2,2-trifluoroethoxy)ethyl]hexan-1-amine is CCCCC(CC)(CCOCC(F)(F)F)CNC(C)C.
What is the InChIKey of 2-ethyl-N-propan-2-yl-2-[2-(2,2,2-trifluoroethoxy)ethyl]hexan-1-amine?
The InChIKey is KLOWYFLBZRRLOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30F3NO/c1-5-7-8-14(6-2,11-19-13(3)4)9-10-20-12-15(16,17)18/h13,19H,5-12H2,1-4H3.
What are the key properties of 2-ethyl-N-propan-2-yl-2-[2-(2,2,2-trifluoroethoxy)ethyl]hexan-1-amine?
2-ethyl-N-propan-2-yl-2-[2-(2,2,2-trifluoroethoxy)ethyl]hexan-1-amine has a molecular weight of 297.40 g/mol, XLogP of 4.54, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-propan-2-yl-2-[2-(2,2,2-trifluoroethoxy)ethyl]hexan-1-amine is sourced from PubChem (CID 62723630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).