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

C15H34F3NO2 — CID 156795196

IUPACmethane;molecular hydrogen;1,1,1-trifluoro-N-[2-[2-(4-methylhexoxy)ethoxy]ethyl]propan-2-amine
SMILESC.CCC(C)CCCOCCOCCNC(C)C(F)(F)F.[H][H]
InChIInChI=1S/C14H28F3NO2.CH4.H2/c1-4-12(2)6-5-8-19-10-11-20-9-7-18-13(3)14(15,16)17;;/h12-13,18H,4-11H2,1-3H3;1H4;1H
InChIKeyFDGDYJJOSDWZKH-UHFFFAOYSA-N
MW317.44 g/mol
LogP4.27
Rot. Bonds12

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

methane;molecular hydrogen;1,1,1-trifluoro-N-[2-[2-(4-methylhexoxy)ethoxy]ethyl]propan-2-amine (PubChem CID 156795196) has the molecular formula C15H34F3NO2 and a molecular weight of 317.44 g/mol. Its IUPAC name is methane;molecular hydrogen;1,1,1-trifluoro-N-[2-[2-(4-methylhexoxy)ethoxy]ethyl]propan-2-amine.

Molecular Properties

Compound Namemethane;molecular hydrogen;1,1,1-trifluoro-N-[2-[2-(4-methylhexoxy)ethoxy]ethyl]propan-2-amine
PubChem CID156795196
Molecular FormulaC15H34F3NO2
Molecular Weight317.44 g/mol
Exact Mass317.25
IUPAC Namemethane;molecular hydrogen;1,1,1-trifluoro-N-[2-[2-(4-methylhexoxy)ethoxy]ethyl]propan-2-amine
SMILESC.CCC(C)CCCOCCOCCNC(C)C(F)(F)F.[H][H]
InChIInChI=1S/C14H28F3NO2.CH4.H2/c1-4-12(2)6-5-8-19-10-11-20-9-7-18-13(3)14(15,16)17;;/h12-13,18H,4-11H2,1-3H3;1H4;1H
InChIKeyFDGDYJJOSDWZKH-UHFFFAOYSA-N
XLogP4.27
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.44
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

CID 141688309
CID 141688309
CID 155459777
CID 155459777
CID 158718751
CID 158718751
CID 159903328
CID 159903328
CID 164557531
CID 164557531
CID 166800801
CID 166800801
CID 166800802
CID 166800802
CID 169214058
CID 169214058
CID 169934486
CID 169934486
CID 174091017
CID 174091017
CID 174252590
CID 174252590
CID 62598119
CID 62598119

Frequently Asked Questions

What is the IUPAC name of methane;molecular hydrogen;1,1,1-trifluoro-N-[2-[2-(4-methylhexoxy)ethoxy]ethyl]propan-2-amine?
The IUPAC name of methane;molecular hydrogen;1,1,1-trifluoro-N-[2-[2-(4-methylhexoxy)ethoxy]ethyl]propan-2-amine (CID 156795196) is methane;molecular hydrogen;1,1,1-trifluoro-N-[2-[2-(4-methylhexoxy)ethoxy]ethyl]propan-2-amine.
What is the SMILES notation for methane;molecular hydrogen;1,1,1-trifluoro-N-[2-[2-(4-methylhexoxy)ethoxy]ethyl]propan-2-amine?
The canonical SMILES for methane;molecular hydrogen;1,1,1-trifluoro-N-[2-[2-(4-methylhexoxy)ethoxy]ethyl]propan-2-amine is C.CCC(C)CCCOCCOCCNC(C)C(F)(F)F.[H][H].
What is the InChIKey of methane;molecular hydrogen;1,1,1-trifluoro-N-[2-[2-(4-methylhexoxy)ethoxy]ethyl]propan-2-amine?
The InChIKey is FDGDYJJOSDWZKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28F3NO2.CH4.H2/c1-4-12(2)6-5-8-19-10-11-20-9-7-18-13(3)14(15,16)17;;/h12-13,18H,4-11H2,1-3H3;1H4;1H.
What are the key properties of methane;molecular hydrogen;1,1,1-trifluoro-N-[2-[2-(4-methylhexoxy)ethoxy]ethyl]propan-2-amine?
methane;molecular hydrogen;1,1,1-trifluoro-N-[2-[2-(4-methylhexoxy)ethoxy]ethyl]propan-2-amine has a molecular weight of 317.44 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;molecular hydrogen;1,1,1-trifluoro-N-[2-[2-(4-methylhexoxy)ethoxy]ethyl]propan-2-amine is sourced from PubChem (CID 156795196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).