N,N-dimethylmethanamine;fluoromethane;hydroxy(trimethyl)azanium;methanol;tris(2-methylpropane);propane

C26H72FN2O2+ — CID 160807590

IUPACN,N-dimethylmethanamine;fluoromethane;hydroxy(trimethyl)azanium;methanol;tris(2-methylpropane);propane
SMILESCC(C)C.CC(C)C.CC(C)C.CCC.CCC.CF.CN(C)C.CO.C[N+](C)(C)O
InChIInChI=1S/3C4H10.C3H10NO.C3H9N.2C3H8.CH3F.CH4O/c3*1-4(2)3;1-4(2,3)5;1-4(2)3;2*1-3-2;2*1-2/h3*4H,1-3H3;5H,1-3H3;1-3H3;2*3H2,1-2H3;1H3;2H,1H3/q;;;+1;;;;;
InChIKeySDWWNZFDKAKITR-UHFFFAOYSA-N
MW463.87 g/mol
LogP8.27
Rot. Bonds

About N,N-dimethylmethanamine;fluoromethane;hydroxy(trimethyl)azanium;methanol;tris(2-methylpropane);propane

N,N-dimethylmethanamine;fluoromethane;hydroxy(trimethyl)azanium;methanol;tris(2-methylpropane);propane (PubChem CID 160807590) has the molecular formula C26H72FN2O2+ and a molecular weight of 463.87 g/mol. Its IUPAC name is N,N-dimethylmethanamine;fluoromethane;hydroxy(trimethyl)azanium;methanol;tris(2-methylpropane);propane.

Molecular Properties

Compound NameN,N-dimethylmethanamine;fluoromethane;hydroxy(trimethyl)azanium;methanol;tris(2-methylpropane);propane
PubChem CID160807590
Molecular FormulaC26H72FN2O2+
Molecular Weight463.87 g/mol
Exact Mass463.56
IUPAC NameN,N-dimethylmethanamine;fluoromethane;hydroxy(trimethyl)azanium;methanol;tris(2-methylpropane);propane
SMILESCC(C)C.CC(C)C.CC(C)C.CCC.CCC.CF.CN(C)C.CO.C[N+](C)(C)O
InChIInChI=1S/3C4H10.C3H10NO.C3H9N.2C3H8.CH3F.CH4O/c3*1-4(2)3;1-4(2,3)5;1-4(2)3;2*1-3-2;2*1-2/h3*4H,1-3H3;5H,1-3H3;1-3H3;2*3H2,1-2H3;1H3;2H,1H3/q;;;+1;;;;;
InChIKeySDWWNZFDKAKITR-UHFFFAOYSA-N
XLogP8.27
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.87
LogP ≤ 58.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethylmethanamine;fluoromethane;hydroxy(trimethyl)azanium;methanol;tris(2-methylpropane);propane?
The IUPAC name of N,N-dimethylmethanamine;fluoromethane;hydroxy(trimethyl)azanium;methanol;tris(2-methylpropane);propane (CID 160807590) is N,N-dimethylmethanamine;fluoromethane;hydroxy(trimethyl)azanium;methanol;tris(2-methylpropane);propane.
What is the SMILES notation for N,N-dimethylmethanamine;fluoromethane;hydroxy(trimethyl)azanium;methanol;tris(2-methylpropane);propane?
The canonical SMILES for N,N-dimethylmethanamine;fluoromethane;hydroxy(trimethyl)azanium;methanol;tris(2-methylpropane);propane is CC(C)C.CC(C)C.CC(C)C.CCC.CCC.CF.CN(C)C.CO.C[N+](C)(C)O.
What is the InChIKey of N,N-dimethylmethanamine;fluoromethane;hydroxy(trimethyl)azanium;methanol;tris(2-methylpropane);propane?
The InChIKey is SDWWNZFDKAKITR-UHFFFAOYSA-N. The full InChI is InChI=1S/3C4H10.C3H10NO.C3H9N.2C3H8.CH3F.CH4O/c3*1-4(2)3;1-4(2,3)5;1-4(2)3;2*1-3-2;2*1-2/h3*4H,1-3H3;5H,1-3H3;1-3H3;2*3H2,1-2H3;1H3;2H,1H3/q;;;+1;;;;;.
What are the key properties of N,N-dimethylmethanamine;fluoromethane;hydroxy(trimethyl)azanium;methanol;tris(2-methylpropane);propane?
N,N-dimethylmethanamine;fluoromethane;hydroxy(trimethyl)azanium;methanol;tris(2-methylpropane);propane has a molecular weight of 463.87 g/mol, XLogP of 8.27, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethylmethanamine;fluoromethane;hydroxy(trimethyl)azanium;methanol;tris(2-methylpropane);propane is sourced from PubChem (CID 160807590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).