molecular hydrogen;1,1,1-trifluoro-N-[2-[2-(4-methylpentoxy)ethoxy]ethyl]propan-2-amine

C13H28F3NO2 — CID 169214058

IUPACmolecular hydrogen;1,1,1-trifluoro-N-[2-[2-(4-methylpentoxy)ethoxy]ethyl]propan-2-amine
SMILESCC(C)CCCOCCOCCNC(C)C(F)(F)F.[H][H]
InChIInChI=1S/C13H26F3NO2.H2/c1-11(2)5-4-7-18-9-10-19-8-6-17-12(3)13(14,15)16;/h11-12,17H,4-10H2,1-3H3;1H
InChIKeyNNGBYIUFABJBOI-UHFFFAOYSA-N
MW287.37 g/mol
LogP3.24
Rot. Bonds11

About molecular hydrogen;1,1,1-trifluoro-N-[2-[2-(4-methylpentoxy)ethoxy]ethyl]propan-2-amine

molecular hydrogen;1,1,1-trifluoro-N-[2-[2-(4-methylpentoxy)ethoxy]ethyl]propan-2-amine (PubChem CID 169214058) has the molecular formula C13H28F3NO2 and a molecular weight of 287.37 g/mol. Its IUPAC name is molecular hydrogen;1,1,1-trifluoro-N-[2-[2-(4-methylpentoxy)ethoxy]ethyl]propan-2-amine.

Molecular Properties

Compound Namemolecular hydrogen;1,1,1-trifluoro-N-[2-[2-(4-methylpentoxy)ethoxy]ethyl]propan-2-amine
PubChem CID169214058
Molecular FormulaC13H28F3NO2
Molecular Weight287.37 g/mol
Exact Mass287.21
IUPAC Namemolecular hydrogen;1,1,1-trifluoro-N-[2-[2-(4-methylpentoxy)ethoxy]ethyl]propan-2-amine
SMILESCC(C)CCCOCCOCCNC(C)C(F)(F)F.[H][H]
InChIInChI=1S/C13H26F3NO2.H2/c1-11(2)5-4-7-18-9-10-19-8-6-17-12(3)13(14,15)16;/h11-12,17H,4-10H2,1-3H3;1H
InChIKeyNNGBYIUFABJBOI-UHFFFAOYSA-N
XLogP3.24
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 53.24
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
N-[2-(2-butoxyethoxy)ethyl]-1,1,1-trifluoropropan-2-amine
CID 142616241
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
methane;1,1,1-trifluoro-3-methyl-N-[2-[2-(4-methylpentoxy)ethoxy]ethyl]butan-2-amine
CID 159903328
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
N-[2-(2-butoxyethoxy)ethyl]-1,1,1-trifluoro-3-methylbutan-2-amine
CID 169934486

Frequently Asked Questions

What is the IUPAC name of molecular hydrogen;1,1,1-trifluoro-N-[2-[2-(4-methylpentoxy)ethoxy]ethyl]propan-2-amine?
The IUPAC name of molecular hydrogen;1,1,1-trifluoro-N-[2-[2-(4-methylpentoxy)ethoxy]ethyl]propan-2-amine (CID 169214058) is molecular hydrogen;1,1,1-trifluoro-N-[2-[2-(4-methylpentoxy)ethoxy]ethyl]propan-2-amine.
What is the SMILES notation for molecular hydrogen;1,1,1-trifluoro-N-[2-[2-(4-methylpentoxy)ethoxy]ethyl]propan-2-amine?
The canonical SMILES for molecular hydrogen;1,1,1-trifluoro-N-[2-[2-(4-methylpentoxy)ethoxy]ethyl]propan-2-amine is CC(C)CCCOCCOCCNC(C)C(F)(F)F.[H][H].
What is the InChIKey of molecular hydrogen;1,1,1-trifluoro-N-[2-[2-(4-methylpentoxy)ethoxy]ethyl]propan-2-amine?
The InChIKey is NNGBYIUFABJBOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26F3NO2.H2/c1-11(2)5-4-7-18-9-10-19-8-6-17-12(3)13(14,15)16;/h11-12,17H,4-10H2,1-3H3;1H.
What are the key properties of molecular hydrogen;1,1,1-trifluoro-N-[2-[2-(4-methylpentoxy)ethoxy]ethyl]propan-2-amine?
molecular hydrogen;1,1,1-trifluoro-N-[2-[2-(4-methylpentoxy)ethoxy]ethyl]propan-2-amine has a molecular weight of 287.37 g/mol, XLogP of 3.24, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for molecular hydrogen;1,1,1-trifluoro-N-[2-[2-(4-methylpentoxy)ethoxy]ethyl]propan-2-amine is sourced from PubChem (CID 169214058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).