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

C15H30F3NO — CID 62724219

IUPACN-tert-butyl-2-methyl-2-propyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine
SMILESCCCC(C)(CCCOCC(F)(F)F)CNC(C)(C)C
InChIInChI=1S/C15H30F3NO/c1-6-8-14(5,11-19-13(2,3)4)9-7-10-20-12-15(16,17)18/h19H,6-12H2,1-5H3
InChIKeyKVSIMXBQSUAOKW-UHFFFAOYSA-N
MW297.40 g/mol
LogP4.54
Rot. Bonds9

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

N-tert-butyl-2-methyl-2-propyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine (PubChem CID 62724219) has the molecular formula C15H30F3NO and a molecular weight of 297.40 g/mol. Its IUPAC name is N-tert-butyl-2-methyl-2-propyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-2-methyl-2-propyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine
PubChem CID62724219
Molecular FormulaC15H30F3NO
Molecular Weight297.40 g/mol
Exact Mass297.23
IUPAC NameN-tert-butyl-2-methyl-2-propyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine
SMILESCCCC(C)(CCCOCC(F)(F)F)CNC(C)(C)C
InChIInChI=1S/C15H30F3NO/c1-6-8-14(5,11-19-13(2,3)4)9-7-10-20-12-15(16,17)18/h19H,6-12H2,1-5H3
InChIKeyKVSIMXBQSUAOKW-UHFFFAOYSA-N
XLogP4.54
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 54.54
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

N-(3,3-difluoropropyl)-5-methoxy-2,2,4,4-tetramethylpentan-1-amine
CID 146342441
N-[3,3-difluoro-5-(5-methyldodecan-5-yloxy)pentyl]-5-methyldodecan-5-amine
CID 156046168
N-tert-butyl-5-(4,4-dimethylpentoxy)-3,3-difluoropentan-1-amine
CID 157475293
N-tert-butyl-5-(4,4-dimethylpentoxy)-3,3-difluoropentan-1-amine;N,N'-ditert-butyl-3,3,4,4,5,5-hexafluoroheptane-1,7-diamine
CID 162033576
N-[2-(oxan-4-yl)ethyl]-4-[1-(trifluoromethyl)cyclopropyl]butan-2-amine
CID 167012441
N,2,2-trimethyl-7-(2,2,2-trifluoroethoxy)heptan-3-amine
CID 54961720
N-ethyl-2,2-dimethyl-7-(2,2,2-trifluoroethoxy)heptan-3-amine
CID 54961721
N-ethyl-2-methyl-7-(2,2,2-trifluoroethoxy)heptan-3-amine
CID 54961770
2-methyl-N-propyl-7-(2,2,2-trifluoroethoxy)heptan-3-amine
CID 54961771
3-methyl-N-propyl-6-(2,2,2-trifluoroethoxy)hexan-2-amine
CID 54961772
N-ethyl-2-propyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine
CID 55083057
N-propan-2-yl-2-propyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine
CID 55083200

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-methyl-2-propyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine?
The IUPAC name of N-tert-butyl-2-methyl-2-propyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine (CID 62724219) is N-tert-butyl-2-methyl-2-propyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine.
What is the SMILES notation for N-tert-butyl-2-methyl-2-propyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine?
The canonical SMILES for N-tert-butyl-2-methyl-2-propyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine is CCCC(C)(CCCOCC(F)(F)F)CNC(C)(C)C.
What is the InChIKey of N-tert-butyl-2-methyl-2-propyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine?
The InChIKey is KVSIMXBQSUAOKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30F3NO/c1-6-8-14(5,11-19-13(2,3)4)9-7-10-20-12-15(16,17)18/h19H,6-12H2,1-5H3.
What are the key properties of N-tert-butyl-2-methyl-2-propyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine?
N-tert-butyl-2-methyl-2-propyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine has a molecular weight of 297.40 g/mol, XLogP of 4.54, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-methyl-2-propyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine is sourced from PubChem (CID 62724219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).