methane;1,1,1-trifluoro-3-methyl-N-[2-[2-(4-methylpentoxy)ethoxy]ethyl]butan-2-amine

C16H34F3NO2 — CID 159903328

IUPACmethane;1,1,1-trifluoro-3-methyl-N-[2-[2-(4-methylpentoxy)ethoxy]ethyl]butan-2-amine
SMILESC.CC(C)CCCOCCOCCNC(C(C)C)C(F)(F)F
InChIInChI=1S/C15H30F3NO2.CH4/c1-12(2)6-5-8-20-10-11-21-9-7-19-14(13(3)4)15(16,17)18;/h12-14,19H,5-11H2,1-4H3;1H4
InChIKeyNWFYARIPUBGBGP-UHFFFAOYSA-N
MW329.45 g/mol
LogP4.27
Rot. Bonds12

About methane;1,1,1-trifluoro-3-methyl-N-[2-[2-(4-methylpentoxy)ethoxy]ethyl]butan-2-amine

methane;1,1,1-trifluoro-3-methyl-N-[2-[2-(4-methylpentoxy)ethoxy]ethyl]butan-2-amine (PubChem CID 159903328) has the molecular formula C16H34F3NO2 and a molecular weight of 329.45 g/mol. Its IUPAC name is methane;1,1,1-trifluoro-3-methyl-N-[2-[2-(4-methylpentoxy)ethoxy]ethyl]butan-2-amine.

Molecular Properties

Compound Namemethane;1,1,1-trifluoro-3-methyl-N-[2-[2-(4-methylpentoxy)ethoxy]ethyl]butan-2-amine
PubChem CID159903328
Molecular FormulaC16H34F3NO2
Molecular Weight329.45 g/mol
Exact Mass329.25
IUPAC Namemethane;1,1,1-trifluoro-3-methyl-N-[2-[2-(4-methylpentoxy)ethoxy]ethyl]butan-2-amine
SMILESC.CC(C)CCCOCCOCCNC(C(C)C)C(F)(F)F
InChIInChI=1S/C15H30F3NO2.CH4/c1-12(2)6-5-8-20-10-11-21-9-7-19-14(13(3)4)15(16,17)18;/h12-14,19H,5-11H2,1-4H3;1H4
InChIKeyNWFYARIPUBGBGP-UHFFFAOYSA-N
XLogP4.27
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.45
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1,1,1-trifluoro-3-methyl-N-[2-[2-(4-methylpentoxy)ethoxy]ethyl]butan-2-amine
CID 141688309
1,1,1-trifluoro-N-[2-[2-(4-methylpentoxy)ethoxy]ethyl]butan-2-amine
CID 155459777
methane;molecular hydrogen;1,1,1-trifluoro-N-[2-[2-(4-methylhexoxy)ethoxy]ethyl]propan-2-amine
CID 156795196
molecular hydrogen;1,1,1-trifluoro-3-methyl-N-[2-[2-(4-methylpentoxy)ethoxy]ethyl]butan-2-amine
CID 158718751
N-[2-[2-(2,2-difluoro-4,4-dimethylpentoxy)-2,2-difluoroethoxy]-2,2-difluoroethyl]-2-methylpropan-2-amine;3,3,4,4-tetrafluoro-2,2,5,5-tetramethylhexane
CID 162240889
4,4,4-Trifluoro-3-[2-[2-(4-methylpentoxy)ethoxy]ethylamino]butane-2-thiol
CID 163657404
1,1,1-trifluoro-3-methyl-N-[2-(2-pentoxyethoxy)ethyl]butan-2-amine
CID 164557531
1,1,1-trifluoro-N-[2-[2-(4-methylpentoxy)ethoxy]ethyl]propan-2-amine
CID 166800801
1,1-difluoro-3-methyl-N-[2-[2-(4-methylpentoxy)ethoxy]ethyl]-1-phosphanylbutan-2-amine
CID 166800802
1,1,1-trifluoro-N-[2-(2-pentoxyethoxy)ethyl]butan-2-amine
CID 167191633
molecular hydrogen;1,1,1-trifluoro-N-[2-[2-(4-methylpentoxy)ethoxy]ethyl]propan-2-amine
CID 169214058
N-[2-(2-butoxyethoxy)ethyl]-1,1,1-trifluoro-3-methylbutan-2-amine
CID 169934486

Frequently Asked Questions

What is the IUPAC name of methane;1,1,1-trifluoro-3-methyl-N-[2-[2-(4-methylpentoxy)ethoxy]ethyl]butan-2-amine?
The IUPAC name of methane;1,1,1-trifluoro-3-methyl-N-[2-[2-(4-methylpentoxy)ethoxy]ethyl]butan-2-amine (CID 159903328) is methane;1,1,1-trifluoro-3-methyl-N-[2-[2-(4-methylpentoxy)ethoxy]ethyl]butan-2-amine.
What is the SMILES notation for methane;1,1,1-trifluoro-3-methyl-N-[2-[2-(4-methylpentoxy)ethoxy]ethyl]butan-2-amine?
The canonical SMILES for methane;1,1,1-trifluoro-3-methyl-N-[2-[2-(4-methylpentoxy)ethoxy]ethyl]butan-2-amine is C.CC(C)CCCOCCOCCNC(C(C)C)C(F)(F)F.
What is the InChIKey of methane;1,1,1-trifluoro-3-methyl-N-[2-[2-(4-methylpentoxy)ethoxy]ethyl]butan-2-amine?
The InChIKey is NWFYARIPUBGBGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30F3NO2.CH4/c1-12(2)6-5-8-20-10-11-21-9-7-19-14(13(3)4)15(16,17)18;/h12-14,19H,5-11H2,1-4H3;1H4.
What are the key properties of methane;1,1,1-trifluoro-3-methyl-N-[2-[2-(4-methylpentoxy)ethoxy]ethyl]butan-2-amine?
methane;1,1,1-trifluoro-3-methyl-N-[2-[2-(4-methylpentoxy)ethoxy]ethyl]butan-2-amine has a molecular weight of 329.45 g/mol, XLogP of 4.27, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methane;1,1,1-trifluoro-3-methyl-N-[2-[2-(4-methylpentoxy)ethoxy]ethyl]butan-2-amine is sourced from PubChem (CID 159903328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).