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

C14H28F3NO2 — CID 103148796

IUPAC6-methoxy-6-methyl-N-propyl-1-(2,2,2-trifluoroethoxy)heptan-3-amine
SMILESCCCNC(CCOCC(F)(F)F)CCC(C)(C)OC
InChIInChI=1S/C14H28F3NO2/c1-5-9-18-12(6-8-13(2,3)19-4)7-10-20-11-14(15,16)17/h12,18H,5-11H2,1-4H3
InChIKeyHEEQPYSZLJGXGU-UHFFFAOYSA-N
MW299.38 g/mol
LogP3.53
Rot. Bonds11

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

6-methoxy-6-methyl-N-propyl-1-(2,2,2-trifluoroethoxy)heptan-3-amine (PubChem CID 103148796) has the molecular formula C14H28F3NO2 and a molecular weight of 299.38 g/mol. Its IUPAC name is 6-methoxy-6-methyl-N-propyl-1-(2,2,2-trifluoroethoxy)heptan-3-amine.

Molecular Properties

Compound Name6-methoxy-6-methyl-N-propyl-1-(2,2,2-trifluoroethoxy)heptan-3-amine
PubChem CID103148796
Molecular FormulaC14H28F3NO2
Molecular Weight299.38 g/mol
Exact Mass299.21
IUPAC Name6-methoxy-6-methyl-N-propyl-1-(2,2,2-trifluoroethoxy)heptan-3-amine
SMILESCCCNC(CCOCC(F)(F)F)CCC(C)(C)OC
InChIInChI=1S/C14H28F3NO2/c1-5-9-18-12(6-8-13(2,3)19-4)7-10-20-11-14(15,16)17/h12,18H,5-11H2,1-4H3
InChIKeyHEEQPYSZLJGXGU-UHFFFAOYSA-N
XLogP3.53
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.38
LogP ≤ 53.53
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 6-methoxy-6-methyl-N-propyl-1-(2,2,2-trifluoroethoxy)heptan-3-amine?
The IUPAC name of 6-methoxy-6-methyl-N-propyl-1-(2,2,2-trifluoroethoxy)heptan-3-amine (CID 103148796) is 6-methoxy-6-methyl-N-propyl-1-(2,2,2-trifluoroethoxy)heptan-3-amine.
What is the SMILES notation for 6-methoxy-6-methyl-N-propyl-1-(2,2,2-trifluoroethoxy)heptan-3-amine?
The canonical SMILES for 6-methoxy-6-methyl-N-propyl-1-(2,2,2-trifluoroethoxy)heptan-3-amine is CCCNC(CCOCC(F)(F)F)CCC(C)(C)OC.
What is the InChIKey of 6-methoxy-6-methyl-N-propyl-1-(2,2,2-trifluoroethoxy)heptan-3-amine?
The InChIKey is HEEQPYSZLJGXGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28F3NO2/c1-5-9-18-12(6-8-13(2,3)19-4)7-10-20-11-14(15,16)17/h12,18H,5-11H2,1-4H3.
What are the key properties of 6-methoxy-6-methyl-N-propyl-1-(2,2,2-trifluoroethoxy)heptan-3-amine?
6-methoxy-6-methyl-N-propyl-1-(2,2,2-trifluoroethoxy)heptan-3-amine has a molecular weight of 299.38 g/mol, XLogP of 3.53, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-6-methyl-N-propyl-1-(2,2,2-trifluoroethoxy)heptan-3-amine is sourced from PubChem (CID 103148796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).