N,2,2-trimethyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine

C10H20F3NO — CID 62723721

IUPACN,2,2-trimethyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine
SMILESCNCC(C)(C)CCCOCC(F)(F)F
InChIInChI=1S/C10H20F3NO/c1-9(2,7-14-3)5-4-6-15-8-10(11,12)13/h14H,4-8H2,1-3H3
InChIKeyYYRGELUHLNZKQM-UHFFFAOYSA-N
MW227.27 g/mol
LogP2.59
Rot. Bonds7

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

N,2,2-trimethyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine (PubChem CID 62723721) has the molecular formula C10H20F3NO and a molecular weight of 227.27 g/mol. Its IUPAC name is N,2,2-trimethyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine.

Molecular Properties

Compound NameN,2,2-trimethyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine
PubChem CID62723721
Molecular FormulaC10H20F3NO
Molecular Weight227.27 g/mol
Exact Mass227.15
IUPAC NameN,2,2-trimethyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine
SMILESCNCC(C)(C)CCCOCC(F)(F)F
InChIInChI=1S/C10H20F3NO/c1-9(2,7-14-3)5-4-6-15-8-10(11,12)13/h14H,4-8H2,1-3H3
InChIKeyYYRGELUHLNZKQM-UHFFFAOYSA-N
XLogP2.59
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.27
LogP ≤ 52.59
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-dimethyl-N-propyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine
CID 55106975
2-ethenyl-N,2-dimethyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine
CID 102640599
1-chloro-2,2-dimethyl-5-(2,2,2-trifluoroethoxy)pentane
CID 66059966
4-chloro-2,2-dimethyl-N-[3-(2,2,2-trifluoroethoxy)propyl]butan-1-amine
CID 106140442
1,3-bis(2,2,2-trifluoroethoxy)propane
CID 57255720
N-tert-butyl-2-methyl-2-propan-2-yl-5-(2,2,2-trifluoroethoxy)pentan-1-amine
CID 83151556
2-methyl-N,2-di(propan-2-yl)-5-(2,2,2-trifluoroethoxy)pentan-1-amine
CID 83150372
3-[2-(3-methoxypropoxy)ethoxy]-N,2,2-trimethylpropan-1-amine
CID 103181128
N-methyl-N'-[3-(2,2,2-trifluoroethoxy)propyl]ethane-1,2-diamine
CID 103208056
N-(5-hydroxy-2,2-dimethylpentyl)-3-(2,2,2-trifluoroethoxy)propanamide
CID 103899562
1-bromo-2,2-dimethyl-3-(4,4,4-trifluorobutoxy)propane
CID 82790057
3,3-dimethyl-4-[2-(2,2,2-trifluoroethoxy)ethylamino]butan-1-ol
CID 106146509

Frequently Asked Questions

What is the IUPAC name of N,2,2-trimethyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine?
The IUPAC name of N,2,2-trimethyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine (CID 62723721) is N,2,2-trimethyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine.
What is the SMILES notation for N,2,2-trimethyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine?
The canonical SMILES for N,2,2-trimethyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine is CNCC(C)(C)CCCOCC(F)(F)F.
What is the InChIKey of N,2,2-trimethyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine?
The InChIKey is YYRGELUHLNZKQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20F3NO/c1-9(2,7-14-3)5-4-6-15-8-10(11,12)13/h14H,4-8H2,1-3H3.
What are the key properties of N,2,2-trimethyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine?
N,2,2-trimethyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine has a molecular weight of 227.27 g/mol, XLogP of 2.59, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,2-trimethyl-5-(2,2,2-trifluoroethoxy)pentan-1-amine is sourced from PubChem (CID 62723721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).