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

C14H28F3NO — CID 62724244

IUPAC2,2-diethyl-N-propyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine
SMILESCCCNCC(CC)(CC)CCCOCC(F)(F)F
InChIInChI=1S/C14H28F3NO/c1-4-9-18-11-13(5-2,6-3)8-7-10-19-12-14(15,16)17/h18H,4-12H2,1-3H3
InChIKeyQEVPKPGIAKASGF-UHFFFAOYSA-N
MW283.38 g/mol
LogP4.15
Rot. Bonds11

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

2,2-diethyl-N-propyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine (PubChem CID 62724244) has the molecular formula C14H28F3NO and a molecular weight of 283.38 g/mol. Its IUPAC name is 2,2-diethyl-N-propyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine.

Molecular Properties

Compound Name2,2-diethyl-N-propyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine
PubChem CID62724244
Molecular FormulaC14H28F3NO
Molecular Weight283.38 g/mol
Exact Mass283.21
IUPAC Name2,2-diethyl-N-propyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine
SMILESCCCNCC(CC)(CC)CCCOCC(F)(F)F
InChIInChI=1S/C14H28F3NO/c1-4-9-18-11-13(5-2,6-3)8-7-10-19-12-14(15,16)17/h18H,4-12H2,1-3H3
InChIKeyQEVPKPGIAKASGF-UHFFFAOYSA-N
XLogP4.15
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 54.15
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-ethyl-N-propyl-2-[3-(2,2,2-trifluoroethoxy)propyl]hexan-1-amine
CID 62726032
2,2-diethyl-N-propyl-4-(2,2,2-trifluoroethoxy)butan-1-amine
CID 62724048
2,2-dimethyl-N-propyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine
CID 55106975
2-ethyl-2-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]butan-1-ol
CID 81419359
2-ethyl-2-[2-(3-methoxypropoxy)ethyl]-N-propylhexan-1-amine
CID 103183523
2,2-diethyl-N-propylnonan-1-amine
CID 63507422
2-ethyl-2-[3-(2-methoxyethoxy)propyl]-N-(2-methoxyethyl)hexan-1-amine
CID 103412480
N-propyl-5-(4,4,4-trifluorobutoxy)pentan-1-amine
CID 82792890
4,4-bis(bromomethyl)-1-(2,2,2-trifluoroethoxy)heptane
CID 79455454
4-butoxy-2,2-diethyl-N-(2-methoxyethyl)butan-1-amine
CID 62725442
2,2-diethyl-N-propylbutan-1-amine
CID 62724441
N-[[4-methyl-2-[3-(2,2,2-trifluoroethoxy)propyl]cyclohexyl]methyl]propan-1-amine
CID 81033298

Frequently Asked Questions

What is the IUPAC name of 2,2-diethyl-N-propyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine?
The IUPAC name of 2,2-diethyl-N-propyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine (CID 62724244) is 2,2-diethyl-N-propyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine.
What is the SMILES notation for 2,2-diethyl-N-propyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine?
The canonical SMILES for 2,2-diethyl-N-propyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine is CCCNCC(CC)(CC)CCCOCC(F)(F)F.
What is the InChIKey of 2,2-diethyl-N-propyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine?
The InChIKey is QEVPKPGIAKASGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28F3NO/c1-4-9-18-11-13(5-2,6-3)8-7-10-19-12-14(15,16)17/h18H,4-12H2,1-3H3.
What are the key properties of 2,2-diethyl-N-propyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine?
2,2-diethyl-N-propyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine has a molecular weight of 283.38 g/mol, XLogP of 4.15, 11 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-5-(2,2,2-trifluoroethoxy)pentan-1-amine is sourced from PubChem (CID 62724244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).