4-methyl-N-propan-2-yl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pentan-1-amine

C13H26F3NO — CID 62529713

IUPAC4-methyl-N-propan-2-yl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pentan-1-amine
SMILESCC(C)CC(CCOCC(F)(F)F)CNC(C)C
InChIInChI=1S/C13H26F3NO/c1-10(2)7-12(8-17-11(3)4)5-6-18-9-13(14,15)16/h10-12,17H,5-9H2,1-4H3
InChIKeyGNCDQYSQASRPKU-UHFFFAOYSA-N
MW269.35 g/mol
LogP3.62
Rot. Bonds9

About 4-methyl-N-propan-2-yl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pentan-1-amine

4-methyl-N-propan-2-yl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pentan-1-amine (PubChem CID 62529713) has the molecular formula C13H26F3NO and a molecular weight of 269.35 g/mol. Its IUPAC name is 4-methyl-N-propan-2-yl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pentan-1-amine.

Molecular Properties

Compound Name4-methyl-N-propan-2-yl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pentan-1-amine
PubChem CID62529713
Molecular FormulaC13H26F3NO
Molecular Weight269.35 g/mol
Exact Mass269.20
IUPAC Name4-methyl-N-propan-2-yl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pentan-1-amine
SMILESCC(C)CC(CCOCC(F)(F)F)CNC(C)C
InChIInChI=1S/C13H26F3NO/c1-10(2)7-12(8-17-11(3)4)5-6-18-9-13(14,15)16/h10-12,17H,5-9H2,1-4H3
InChIKeyGNCDQYSQASRPKU-UHFFFAOYSA-N
XLogP3.62
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 53.62
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-ethyl-2,2,2-trifluoro-1-(oxan-4-yl)ethanamine
CID 66204343
N-(2,2-difluoro-4-methylpentyl)-5,5-difluoro-6-methoxy-3-methylhexan-1-amine
CID 132011838
(2S)-4-(1-fluoroethoxymethyl)-2-propan-2-ylpyrrolidine
CID 132093745
2-N-propan-2-yl-6-(trifluoromethyl)oxepane-2,4-diamine
CID 134408977
4-[3-(4,4,4-Trifluorobutoxy)propyl]piperidine
CID 143045251
(1S)-N-ethyl-2,2,2-trifluoro-1-(oxan-4-yl)ethanamine
CID 146615373
N-[(1R)-2,2,2-trifluoro-1-(oxan-4-yl)ethyl]propan-2-amine
CID 146615375
N-[2,2,2-trifluoro-1-(oxan-4-yl)ethyl]propan-2-amine
CID 146615508
N-[(1S)-2,2,2-trifluoro-1-(oxan-4-yl)ethyl]propan-2-amine
CID 146626775
N-[2,2,2-trifluoro-1-(oxolan-3-yl)ethyl]propan-2-amine
CID 166470499
N-[(3R)-3-fluorobutan-2-yl]-2-methyl-1-(oxan-4-yl)propan-1-amine
CID 173964280
3-methyl-N-propyl-6-(2,2,2-trifluoroethoxy)hexan-2-amine
CID 54961772

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-propan-2-yl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pentan-1-amine?
The IUPAC name of 4-methyl-N-propan-2-yl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pentan-1-amine (CID 62529713) is 4-methyl-N-propan-2-yl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pentan-1-amine.
What is the SMILES notation for 4-methyl-N-propan-2-yl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pentan-1-amine?
The canonical SMILES for 4-methyl-N-propan-2-yl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pentan-1-amine is CC(C)CC(CCOCC(F)(F)F)CNC(C)C.
What is the InChIKey of 4-methyl-N-propan-2-yl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pentan-1-amine?
The InChIKey is GNCDQYSQASRPKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26F3NO/c1-10(2)7-12(8-17-11(3)4)5-6-18-9-13(14,15)16/h10-12,17H,5-9H2,1-4H3.
What are the key properties of 4-methyl-N-propan-2-yl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pentan-1-amine?
4-methyl-N-propan-2-yl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pentan-1-amine has a molecular weight of 269.35 g/mol, XLogP of 3.62, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-propan-2-yl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pentan-1-amine is sourced from PubChem (CID 62529713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).