2-tert-butyl-N-propan-2-yl-5-(2,2,2-trifluoroethoxy)pentan-1-amine

C14H28F3NO — CID 83138342

IUPAC2-tert-butyl-N-propan-2-yl-5-(2,2,2-trifluoroethoxy)pentan-1-amine
SMILESCC(C)NCC(CCCOCC(F)(F)F)C(C)(C)C
InChIInChI=1S/C14H28F3NO/c1-11(2)18-9-12(13(3,4)5)7-6-8-19-10-14(15,16)17/h11-12,18H,6-10H2,1-5H3
InChIKeyPQNGHXYJEASWMY-UHFFFAOYSA-N
MW283.38 g/mol
LogP4.01
Rot. Bonds8

About 2-tert-butyl-N-propan-2-yl-5-(2,2,2-trifluoroethoxy)pentan-1-amine

2-tert-butyl-N-propan-2-yl-5-(2,2,2-trifluoroethoxy)pentan-1-amine (PubChem CID 83138342) has the molecular formula C14H28F3NO and a molecular weight of 283.38 g/mol. Its IUPAC name is 2-tert-butyl-N-propan-2-yl-5-(2,2,2-trifluoroethoxy)pentan-1-amine.

Molecular Properties

Compound Name2-tert-butyl-N-propan-2-yl-5-(2,2,2-trifluoroethoxy)pentan-1-amine
PubChem CID83138342
Molecular FormulaC14H28F3NO
Molecular Weight283.38 g/mol
Exact Mass283.21
IUPAC Name2-tert-butyl-N-propan-2-yl-5-(2,2,2-trifluoroethoxy)pentan-1-amine
SMILESCC(C)NCC(CCCOCC(F)(F)F)C(C)(C)C
InChIInChI=1S/C14H28F3NO/c1-11(2)18-9-12(13(3,4)5)7-6-8-19-10-14(15,16)17/h11-12,18H,6-10H2,1-5H3
InChIKeyPQNGHXYJEASWMY-UHFFFAOYSA-N
XLogP4.01
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 54.01
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-tert-butyl-N-(2-methylpropyl)-5-(2,2,2-trifluoroethoxy)pentan-1-amine
CID 83139638
2-methyl-N-propan-2-yl-6-(2,2,2-trifluoroethoxy)hexan-1-amine
CID 64663720
2-(2-ethoxyethyl)-3,3-dimethyl-N-propan-2-ylbutan-1-amine
CID 83139517
N'-propan-2-yl-N-[3-(2,2,2-trifluoroethoxy)propyl]propane-1,3-diamine
CID 103208163
3,3-dimethyl-N-propyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]butan-1-amine
CID 83139215
2-methyl-N,2-di(propan-2-yl)-5-(2,2,2-trifluoroethoxy)pentan-1-amine
CID 83150372
4-bromo-1-(2,2,2-trifluoroethoxy)pentane
CID 54772582
N,3,3-trimethyl-2-(2,2,2-trifluoroethoxymethyl)butan-1-amine
CID 106706186
7-methyl-1-(2,2,2-trifluoroethoxy)octan-4-ol
CID 115000197
2,2-dimethyl-7-(2,2,2-trifluoroethoxy)heptan-3-amine
CID 61491061
N-(2-methoxyethyl)-2-methyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine
CID 62725863
2-(2-chlorophenyl)-N-propan-2-yl-4-(2,2,2-trifluoroethoxy)butan-1-amine
CID 79437061

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-N-propan-2-yl-5-(2,2,2-trifluoroethoxy)pentan-1-amine?
The IUPAC name of 2-tert-butyl-N-propan-2-yl-5-(2,2,2-trifluoroethoxy)pentan-1-amine (CID 83138342) is 2-tert-butyl-N-propan-2-yl-5-(2,2,2-trifluoroethoxy)pentan-1-amine.
What is the SMILES notation for 2-tert-butyl-N-propan-2-yl-5-(2,2,2-trifluoroethoxy)pentan-1-amine?
The canonical SMILES for 2-tert-butyl-N-propan-2-yl-5-(2,2,2-trifluoroethoxy)pentan-1-amine is CC(C)NCC(CCCOCC(F)(F)F)C(C)(C)C.
What is the InChIKey of 2-tert-butyl-N-propan-2-yl-5-(2,2,2-trifluoroethoxy)pentan-1-amine?
The InChIKey is PQNGHXYJEASWMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28F3NO/c1-11(2)18-9-12(13(3,4)5)7-6-8-19-10-14(15,16)17/h11-12,18H,6-10H2,1-5H3.
What are the key properties of 2-tert-butyl-N-propan-2-yl-5-(2,2,2-trifluoroethoxy)pentan-1-amine?
2-tert-butyl-N-propan-2-yl-5-(2,2,2-trifluoroethoxy)pentan-1-amine has a molecular weight of 283.38 g/mol, XLogP of 4.01, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-N-propan-2-yl-5-(2,2,2-trifluoroethoxy)pentan-1-amine is sourced from PubChem (CID 83138342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).