2-ethyl-2-methyl-N-propyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine

C13H26F3NO — CID 55106802

IUPAC2-ethyl-2-methyl-N-propyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine
SMILESCCCNCC(C)(CC)CCCOCC(F)(F)F
InChIInChI=1S/C13H26F3NO/c1-4-8-17-10-12(3,5-2)7-6-9-18-11-13(14,15)16/h17H,4-11H2,1-3H3
InChIKeyXXCBJXDJLQPRON-UHFFFAOYSA-N
MW269.35 g/mol
LogP3.76
Rot. Bonds10

About 2-ethyl-2-methyl-N-propyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine

2-ethyl-2-methyl-N-propyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine (PubChem CID 55106802) has the molecular formula C13H26F3NO and a molecular weight of 269.35 g/mol. Its IUPAC name is 2-ethyl-2-methyl-N-propyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine.

Molecular Properties

Compound Name2-ethyl-2-methyl-N-propyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine
PubChem CID55106802
Molecular FormulaC13H26F3NO
Molecular Weight269.35 g/mol
Exact Mass269.20
IUPAC Name2-ethyl-2-methyl-N-propyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine
SMILESCCCNCC(C)(CC)CCCOCC(F)(F)F
InChIInChI=1S/C13H26F3NO/c1-4-8-17-10-12(3,5-2)7-6-9-18-11-13(14,15)16/h17H,4-11H2,1-3H3
InChIKeyXXCBJXDJLQPRON-UHFFFAOYSA-N
XLogP3.76
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
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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Related Compounds

CID 132011838
CID 132011838
CID 146342441
CID 146342441
CID 157475293
CID 157475293
CID 54961720
CID 54961720
CID 54961721
CID 54961721
CID 54961772
CID 54961772
CID 55082815
CID 55082815
CID 55082865
CID 55082865
CID 55082869
CID 55082869
CID 55083057
CID 55083057
CID 55083200
CID 55083200
CID 55083250
CID 55083250

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-methyl-N-propyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine?
The IUPAC name of 2-ethyl-2-methyl-N-propyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine (CID 55106802) is 2-ethyl-2-methyl-N-propyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine.
What is the SMILES notation for 2-ethyl-2-methyl-N-propyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine?
The canonical SMILES for 2-ethyl-2-methyl-N-propyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine is CCCNCC(C)(CC)CCCOCC(F)(F)F.
What is the InChIKey of 2-ethyl-2-methyl-N-propyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine?
The InChIKey is XXCBJXDJLQPRON-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26F3NO/c1-4-8-17-10-12(3,5-2)7-6-9-18-11-13(14,15)16/h17H,4-11H2,1-3H3.
What are the key properties of 2-ethyl-2-methyl-N-propyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine?
2-ethyl-2-methyl-N-propyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine has a molecular weight of 269.35 g/mol, XLogP of 3.76, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-methyl-N-propyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine is sourced from PubChem (CID 55106802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).