3-ethyl-N-propyl-6-(2,2,2-trifluoroethoxy)hexan-2-amine

C13H26F3NO — CID 61491325

IUPAC3-ethyl-N-propyl-6-(2,2,2-trifluoroethoxy)hexan-2-amine
SMILESCCCNC(C)C(CC)CCCOCC(F)(F)F
InChIInChI=1S/C13H26F3NO/c1-4-8-17-11(3)12(5-2)7-6-9-18-10-13(14,15)16/h11-12,17H,4-10H2,1-3H3
InChIKeyKTRKVBGQEREVQI-UHFFFAOYSA-N
MW269.35 g/mol
LogP3.76
Rot. Bonds10

About 3-ethyl-N-propyl-6-(2,2,2-trifluoroethoxy)hexan-2-amine

3-ethyl-N-propyl-6-(2,2,2-trifluoroethoxy)hexan-2-amine (PubChem CID 61491325) has the molecular formula C13H26F3NO and a molecular weight of 269.35 g/mol. Its IUPAC name is 3-ethyl-N-propyl-6-(2,2,2-trifluoroethoxy)hexan-2-amine.

Molecular Properties

Compound Name3-ethyl-N-propyl-6-(2,2,2-trifluoroethoxy)hexan-2-amine
PubChem CID61491325
Molecular FormulaC13H26F3NO
Molecular Weight269.35 g/mol
Exact Mass269.20
IUPAC Name3-ethyl-N-propyl-6-(2,2,2-trifluoroethoxy)hexan-2-amine
SMILESCCCNC(C)C(CC)CCCOCC(F)(F)F
InChIInChI=1S/C13H26F3NO/c1-4-8-17-11(3)12(5-2)7-6-9-18-10-13(14,15)16/h11-12,17H,4-10H2,1-3H3
InChIKeyKTRKVBGQEREVQI-UHFFFAOYSA-N
XLogP3.76
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 53.76
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-Cyclohexyl-4-[(2,2,2-trifluoroethoxy)methyl]cyclohexan-1-amine
CID 67483668
3,3-difluoro-5-(2-methylpropoxy)-N-propan-2-ylpentan-1-amine
CID 126619717
N-(2,2-difluoro-4-methylpentyl)-5,5-difluoro-6-methoxy-3-methylhexan-1-amine
CID 132011838
(3S)-4-methyl-N-(trifluoromethyl)oxepan-3-amine
CID 155030374
N-[2-[3-(trifluoromethoxy)cyclobutyl]ethyl]propan-2-amine
CID 155346504
2-(Methoxymethyl)-3,5-dimethyl-4-(trifluoromethyl)pyrrolidine
CID 163625319
N-[2-(oxan-4-yl)ethyl]-4-[1-(trifluoromethyl)cyclopropyl]butan-2-amine
CID 167012441
3,3-difluoro-N-[(2R)-3-methylbutan-2-yl]-5-[(2-methylpropan-2-yl)oxy]pentan-1-amine
CID 173861161
N-(2-ethylbutyl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
CID 43435233
N-(3-methylbutyl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
CID 43435243
N-(2-methylpentyl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
CID 43748953
N-(3-methylpentan-2-yl)-3-(2,2,2-trifluoroethoxy)cyclohexan-1-amine
CID 43748956

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-propyl-6-(2,2,2-trifluoroethoxy)hexan-2-amine?
The IUPAC name of 3-ethyl-N-propyl-6-(2,2,2-trifluoroethoxy)hexan-2-amine (CID 61491325) is 3-ethyl-N-propyl-6-(2,2,2-trifluoroethoxy)hexan-2-amine.
What is the SMILES notation for 3-ethyl-N-propyl-6-(2,2,2-trifluoroethoxy)hexan-2-amine?
The canonical SMILES for 3-ethyl-N-propyl-6-(2,2,2-trifluoroethoxy)hexan-2-amine is CCCNC(C)C(CC)CCCOCC(F)(F)F.
What is the InChIKey of 3-ethyl-N-propyl-6-(2,2,2-trifluoroethoxy)hexan-2-amine?
The InChIKey is KTRKVBGQEREVQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26F3NO/c1-4-8-17-11(3)12(5-2)7-6-9-18-10-13(14,15)16/h11-12,17H,4-10H2,1-3H3.
What are the key properties of 3-ethyl-N-propyl-6-(2,2,2-trifluoroethoxy)hexan-2-amine?
3-ethyl-N-propyl-6-(2,2,2-trifluoroethoxy)hexan-2-amine has a molecular weight of 269.35 g/mol, XLogP of 3.76, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-propyl-6-(2,2,2-trifluoroethoxy)hexan-2-amine is sourced from PubChem (CID 61491325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).