2,2-diethyl-N-propyl-4-(2,2,2-trifluoroethoxy)butan-1-amine

C13H26F3NO — CID 62724048

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

About 2,2-diethyl-N-propyl-4-(2,2,2-trifluoroethoxy)butan-1-amine

2,2-diethyl-N-propyl-4-(2,2,2-trifluoroethoxy)butan-1-amine (PubChem CID 62724048) has the molecular formula C13H26F3NO and a molecular weight of 269.35 g/mol. Its IUPAC name is 2,2-diethyl-N-propyl-4-(2,2,2-trifluoroethoxy)butan-1-amine.

Molecular Properties

Compound Name2,2-diethyl-N-propyl-4-(2,2,2-trifluoroethoxy)butan-1-amine
PubChem CID62724048
Molecular FormulaC13H26F3NO
Molecular Weight269.35 g/mol
Exact Mass269.20
IUPAC Name2,2-diethyl-N-propyl-4-(2,2,2-trifluoroethoxy)butan-1-amine
SMILESCCCNCC(CC)(CC)CCOCC(F)(F)F
InChIInChI=1S/C13H26F3NO/c1-4-8-17-10-12(5-2,6-3)7-9-18-11-13(14,15)16/h17H,4-11H2,1-3H3
InChIKeyMOZCUVNNBCZTSC-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

2,2-diethyl-N-propyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine
CID 62724244
2-ethyl-N-propyl-2-[3-(2,2,2-trifluoroethoxy)propyl]hexan-1-amine
CID 62726032
2-ethyl-2-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]butan-1-ol
CID 81419359
2,2-dimethyl-N-propyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine
CID 55106975
2,2-diethyl-4-[2-(2-methoxyethoxy)ethoxy]-N-(2-methoxyethyl)butan-1-amine
CID 104566572
4-butoxy-2,2-diethyl-N-(2-methoxyethyl)butan-1-amine
CID 62725442
2-ethyl-2-[2-(3-methoxypropoxy)ethyl]-N-propylhexan-1-amine
CID 103183523
2,2-diethyl-N-propylbutan-1-amine
CID 62724441
2-ethyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]hexan-1-amine
CID 55106535
2-ethyl-2-(methoxymethyl)-N-propylbutan-1-amine
CID 103984566
2,2-diethyl-N-propylnonan-1-amine
CID 63507422
2-(2-butoxyethyl)-2-ethyl-N-(2-methoxyethyl)hexan-1-amine
CID 62724846

Frequently Asked Questions

What is the IUPAC name of 2,2-diethyl-N-propyl-4-(2,2,2-trifluoroethoxy)butan-1-amine?
The IUPAC name of 2,2-diethyl-N-propyl-4-(2,2,2-trifluoroethoxy)butan-1-amine (CID 62724048) is 2,2-diethyl-N-propyl-4-(2,2,2-trifluoroethoxy)butan-1-amine.
What is the SMILES notation for 2,2-diethyl-N-propyl-4-(2,2,2-trifluoroethoxy)butan-1-amine?
The canonical SMILES for 2,2-diethyl-N-propyl-4-(2,2,2-trifluoroethoxy)butan-1-amine is CCCNCC(CC)(CC)CCOCC(F)(F)F.
What is the InChIKey of 2,2-diethyl-N-propyl-4-(2,2,2-trifluoroethoxy)butan-1-amine?
The InChIKey is MOZCUVNNBCZTSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26F3NO/c1-4-8-17-10-12(5-2,6-3)7-9-18-11-13(14,15)16/h17H,4-11H2,1-3H3.
What are the key properties of 2,2-diethyl-N-propyl-4-(2,2,2-trifluoroethoxy)butan-1-amine?
2,2-diethyl-N-propyl-4-(2,2,2-trifluoroethoxy)butan-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 2,2-diethyl-N-propyl-4-(2,2,2-trifluoroethoxy)butan-1-amine is sourced from PubChem (CID 62724048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).