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

C15H30F3NO — CID 83139638

IUPAC2-tert-butyl-N-(2-methylpropyl)-5-(2,2,2-trifluoroethoxy)pentan-1-amine
SMILESCC(C)CNCC(CCCOCC(F)(F)F)C(C)(C)C
InChIInChI=1S/C15H30F3NO/c1-12(2)9-19-10-13(14(3,4)5)7-6-8-20-11-15(16,17)18/h12-13,19H,6-11H2,1-5H3
InChIKeyFYSMKVZHRPJIFC-UHFFFAOYSA-N
MW297.41 g/mol
LogP4.25
Rot. Bonds9

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

2-tert-butyl-N-(2-methylpropyl)-5-(2,2,2-trifluoroethoxy)pentan-1-amine (PubChem CID 83139638) has the molecular formula C15H30F3NO and a molecular weight of 297.41 g/mol. Its IUPAC name is 2-tert-butyl-N-(2-methylpropyl)-5-(2,2,2-trifluoroethoxy)pentan-1-amine.

Molecular Properties

Compound Name2-tert-butyl-N-(2-methylpropyl)-5-(2,2,2-trifluoroethoxy)pentan-1-amine
PubChem CID83139638
Molecular FormulaC15H30F3NO
Molecular Weight297.41 g/mol
Exact Mass297.23
IUPAC Name2-tert-butyl-N-(2-methylpropyl)-5-(2,2,2-trifluoroethoxy)pentan-1-amine
SMILESCC(C)CNCC(CCCOCC(F)(F)F)C(C)(C)C
InChIInChI=1S/C15H30F3NO/c1-12(2)9-19-10-13(14(3,4)5)7-6-8-20-11-15(16,17)18/h12-13,19H,6-11H2,1-5H3
InChIKeyFYSMKVZHRPJIFC-UHFFFAOYSA-N
XLogP4.25
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.41
LogP ≤ 54.25
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-propan-2-yl-5-(2,2,2-trifluoroethoxy)pentan-1-amine
CID 83138342
3,3-dimethyl-N-propyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]butan-1-amine
CID 83139215
2-tert-butyl-N-(2-methylpropyl)hexan-1-amine
CID 83138560
2,2-dimethyl-N-(2-methylpropyl)-4-(2,2,2-trifluoroethoxy)butan-1-amine
CID 62725155
2-tert-butyl-5-ethoxy-N-ethylpentan-1-amine
CID 83138911
2,3-dimethyl-N-(2-methylpropyl)-2-[2-(2,2,2-trifluoroethoxy)ethyl]butan-1-amine
CID 83151326
4-bromo-1-(2,2,2-trifluoroethoxy)pentane
CID 54772582
7-methyl-1-(2,2,2-trifluoroethoxy)octan-4-ol
CID 115000197
N-(2-methoxyethyl)-2-methyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine
CID 62725863
6-methyl-1-(2,2,2-trifluoroethoxy)heptan-4-amine
CID 62599900
N,3,3-trimethyl-2-(2,2,2-trifluoroethoxymethyl)butan-1-amine
CID 106706186
2-ethyl-3,3-dimethyl-N-(2-methylpropyl)butan-1-amine
CID 83138954

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-N-(2-methylpropyl)-5-(2,2,2-trifluoroethoxy)pentan-1-amine?
The IUPAC name of 2-tert-butyl-N-(2-methylpropyl)-5-(2,2,2-trifluoroethoxy)pentan-1-amine (CID 83139638) is 2-tert-butyl-N-(2-methylpropyl)-5-(2,2,2-trifluoroethoxy)pentan-1-amine.
What is the SMILES notation for 2-tert-butyl-N-(2-methylpropyl)-5-(2,2,2-trifluoroethoxy)pentan-1-amine?
The canonical SMILES for 2-tert-butyl-N-(2-methylpropyl)-5-(2,2,2-trifluoroethoxy)pentan-1-amine is CC(C)CNCC(CCCOCC(F)(F)F)C(C)(C)C.
What is the InChIKey of 2-tert-butyl-N-(2-methylpropyl)-5-(2,2,2-trifluoroethoxy)pentan-1-amine?
The InChIKey is FYSMKVZHRPJIFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30F3NO/c1-12(2)9-19-10-13(14(3,4)5)7-6-8-20-11-15(16,17)18/h12-13,19H,6-11H2,1-5H3.
What are the key properties of 2-tert-butyl-N-(2-methylpropyl)-5-(2,2,2-trifluoroethoxy)pentan-1-amine?
2-tert-butyl-N-(2-methylpropyl)-5-(2,2,2-trifluoroethoxy)pentan-1-amine has a molecular weight of 297.41 g/mol, XLogP of 4.25, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-N-(2-methylpropyl)-5-(2,2,2-trifluoroethoxy)pentan-1-amine is sourced from PubChem (CID 83139638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).