N,N-di(ethyl)propan-2-amine;3,3-difluoro-1-propan-2-ylpyrrolidine;N-methanidyl-N-propylpropan-2-amine;bis(tungsten(2+))

C21H43F2N3W2 — CID 162074386

IUPACN,N-di(ethyl)propan-2-amine;3,3-difluoro-1-propan-2-ylpyrrolidine;N-methanidyl-N-propylpropan-2-amine;bis(tungsten(2+))
SMILESCC(C)N1CCC(F)(F)C1.[CH2-]CCN([CH2-])C(C)C.[CH2-]CN(C[CH2-])C(C)C.[W+2].[W+2]
InChIInChI=1S/C7H13F2N.2C7H15N.2W/c1-6(2)10-4-3-7(8,9)5-10;1-5-6-8(4)7(2)3;1-5-8(6-2)7(3)4;;/h6H,3-5H2,1-2H3;7H,1,4-6H2,2-3H3;7H,1-2,5-6H2,3-4H3;;/q;2*-2;2*+2
InChIKeyZBNAFLGKPHNFNC-UHFFFAOYSA-N
MW743.27 g/mol
LogP4.81
Rot. Bonds7

About N,N-di(ethyl)propan-2-amine;3,3-difluoro-1-propan-2-ylpyrrolidine;N-methanidyl-N-propylpropan-2-amine;bis(tungsten(2+))

N,N-di(ethyl)propan-2-amine;3,3-difluoro-1-propan-2-ylpyrrolidine;N-methanidyl-N-propylpropan-2-amine;bis(tungsten(2+)) (PubChem CID 162074386) has the molecular formula C21H43F2N3W2 and a molecular weight of 743.27 g/mol. Its IUPAC name is N,N-di(ethyl)propan-2-amine;3,3-difluoro-1-propan-2-ylpyrrolidine;N-methanidyl-N-propylpropan-2-amine;bis(tungsten(2+)).

Molecular Properties

Compound NameN,N-di(ethyl)propan-2-amine;3,3-difluoro-1-propan-2-ylpyrrolidine;N-methanidyl-N-propylpropan-2-amine;bis(tungsten(2+))
PubChem CID162074386
Molecular FormulaC21H43F2N3W2
Molecular Weight743.27 g/mol
Exact Mass743.24
IUPAC NameN,N-di(ethyl)propan-2-amine;3,3-difluoro-1-propan-2-ylpyrrolidine;N-methanidyl-N-propylpropan-2-amine;bis(tungsten(2+))
SMILESCC(C)N1CCC(F)(F)C1.[CH2-]CCN([CH2-])C(C)C.[CH2-]CN(C[CH2-])C(C)C.[W+2].[W+2]
InChIInChI=1S/C7H13F2N.2C7H15N.2W/c1-6(2)10-4-3-7(8,9)5-10;1-5-6-8(4)7(2)3;1-5-8(6-2)7(3)4;;/h6H,3-5H2,1-2H3;7H,1,4-6H2,2-3H3;7H,1-2,5-6H2,3-4H3;;/q;2*-2;2*+2
InChIKeyZBNAFLGKPHNFNC-UHFFFAOYSA-N
XLogP4.81
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500743.27
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N-di(ethyl)propan-2-amine;3,3-difluoro-1-propan-2-ylpyrrolidine;N-methanidyl-N-propylpropan-2-amine;bis(tungsten(2+))?
The IUPAC name of N,N-di(ethyl)propan-2-amine;3,3-difluoro-1-propan-2-ylpyrrolidine;N-methanidyl-N-propylpropan-2-amine;bis(tungsten(2+)) (CID 162074386) is N,N-di(ethyl)propan-2-amine;3,3-difluoro-1-propan-2-ylpyrrolidine;N-methanidyl-N-propylpropan-2-amine;bis(tungsten(2+)).
What is the SMILES notation for N,N-di(ethyl)propan-2-amine;3,3-difluoro-1-propan-2-ylpyrrolidine;N-methanidyl-N-propylpropan-2-amine;bis(tungsten(2+))?
The canonical SMILES for N,N-di(ethyl)propan-2-amine;3,3-difluoro-1-propan-2-ylpyrrolidine;N-methanidyl-N-propylpropan-2-amine;bis(tungsten(2+)) is CC(C)N1CCC(F)(F)C1.[CH2-]CCN([CH2-])C(C)C.[CH2-]CN(C[CH2-])C(C)C.[W+2].[W+2].
What is the InChIKey of N,N-di(ethyl)propan-2-amine;3,3-difluoro-1-propan-2-ylpyrrolidine;N-methanidyl-N-propylpropan-2-amine;bis(tungsten(2+))?
The InChIKey is ZBNAFLGKPHNFNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F2N.2C7H15N.2W/c1-6(2)10-4-3-7(8,9)5-10;1-5-6-8(4)7(2)3;1-5-8(6-2)7(3)4;;/h6H,3-5H2,1-2H3;7H,1,4-6H2,2-3H3;7H,1-2,5-6H2,3-4H3;;/q;2*-2;2*+2.
What are the key properties of N,N-di(ethyl)propan-2-amine;3,3-difluoro-1-propan-2-ylpyrrolidine;N-methanidyl-N-propylpropan-2-amine;bis(tungsten(2+))?
N,N-di(ethyl)propan-2-amine;3,3-difluoro-1-propan-2-ylpyrrolidine;N-methanidyl-N-propylpropan-2-amine;bis(tungsten(2+)) has a molecular weight of 743.27 g/mol, XLogP of 4.81, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-di(ethyl)propan-2-amine;3,3-difluoro-1-propan-2-ylpyrrolidine;N-methanidyl-N-propylpropan-2-amine;bis(tungsten(2+)) is sourced from PubChem (CID 162074386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).