N-ethyl-6-methoxy-6-methyl-1-(2,2,2-trifluoroethoxy)heptan-3-amine

C13H26F3NO2 — CID 103148664

IUPACN-ethyl-6-methoxy-6-methyl-1-(2,2,2-trifluoroethoxy)heptan-3-amine
SMILESCCNC(CCOCC(F)(F)F)CCC(C)(C)OC
InChIInChI=1S/C13H26F3NO2/c1-5-17-11(6-8-12(2,3)18-4)7-9-19-10-13(14,15)16/h11,17H,5-10H2,1-4H3
InChIKeyBYQHKJJYYJYYBA-UHFFFAOYSA-N
MW285.35 g/mol
LogP3.14
Rot. Bonds10

About N-ethyl-6-methoxy-6-methyl-1-(2,2,2-trifluoroethoxy)heptan-3-amine

N-ethyl-6-methoxy-6-methyl-1-(2,2,2-trifluoroethoxy)heptan-3-amine (PubChem CID 103148664) has the molecular formula C13H26F3NO2 and a molecular weight of 285.35 g/mol. Its IUPAC name is N-ethyl-6-methoxy-6-methyl-1-(2,2,2-trifluoroethoxy)heptan-3-amine.

Molecular Properties

Compound NameN-ethyl-6-methoxy-6-methyl-1-(2,2,2-trifluoroethoxy)heptan-3-amine
PubChem CID103148664
Molecular FormulaC13H26F3NO2
Molecular Weight285.35 g/mol
Exact Mass285.19
IUPAC NameN-ethyl-6-methoxy-6-methyl-1-(2,2,2-trifluoroethoxy)heptan-3-amine
SMILESCCNC(CCOCC(F)(F)F)CCC(C)(C)OC
InChIInChI=1S/C13H26F3NO2/c1-5-17-11(6-8-12(2,3)18-4)7-9-19-10-13(14,15)16/h11,17H,5-10H2,1-4H3
InChIKeyBYQHKJJYYJYYBA-UHFFFAOYSA-N
XLogP3.14
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 N-ethyl-6-methoxy-6-methyl-1-(2,2,2-trifluoroethoxy)heptan-3-amine?
The IUPAC name of N-ethyl-6-methoxy-6-methyl-1-(2,2,2-trifluoroethoxy)heptan-3-amine (CID 103148664) is N-ethyl-6-methoxy-6-methyl-1-(2,2,2-trifluoroethoxy)heptan-3-amine.
What is the SMILES notation for N-ethyl-6-methoxy-6-methyl-1-(2,2,2-trifluoroethoxy)heptan-3-amine?
The canonical SMILES for N-ethyl-6-methoxy-6-methyl-1-(2,2,2-trifluoroethoxy)heptan-3-amine is CCNC(CCOCC(F)(F)F)CCC(C)(C)OC.
What is the InChIKey of N-ethyl-6-methoxy-6-methyl-1-(2,2,2-trifluoroethoxy)heptan-3-amine?
The InChIKey is BYQHKJJYYJYYBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26F3NO2/c1-5-17-11(6-8-12(2,3)18-4)7-9-19-10-13(14,15)16/h11,17H,5-10H2,1-4H3.
What are the key properties of N-ethyl-6-methoxy-6-methyl-1-(2,2,2-trifluoroethoxy)heptan-3-amine?
N-ethyl-6-methoxy-6-methyl-1-(2,2,2-trifluoroethoxy)heptan-3-amine has a molecular weight of 285.35 g/mol, XLogP of 3.14, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-methoxy-6-methyl-1-(2,2,2-trifluoroethoxy)heptan-3-amine is sourced from PubChem (CID 103148664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).