CID 58681854

C8H17NWY-2 — CID 58681854

IUPAC—
SMILES[CH2-]C.[CH2-]N1C[C-](C)C1.[CH3-].[W+2].[Y]
InChIInChI=1S/C5H9N.C2H5.CH3.W.Y/c1-5-3-6(2)4-5;1-2;;;/h2-4H2,1H3;1H2,2H3;1H3;;/q-2;2*-1;+2;
InChIKeyZUCPSLYBIJGQLA-UHFFFAOYSA-N
MW399.98 g/mol
LogP1.97
Rot. Bonds

About CID 58681854

CID 58681854 (PubChem CID 58681854) has the molecular formula C8H17NWY-2 and a molecular weight of 399.98 g/mol.

Molecular Properties

Compound NameCID 58681854
PubChem CID58681854
Molecular FormulaC8H17NWY-2
Molecular Weight399.98 g/mol
Exact Mass399.99
IUPAC Name—
SMILES[CH2-]C.[CH2-]N1C[C-](C)C1.[CH3-].[W+2].[Y]
InChIInChI=1S/C5H9N.C2H5.CH3.W.Y/c1-5-3-6(2)4-5;1-2;;;/h2-4H2,1H3;1H2,2H3;1H3;;/q-2;2*-1;+2;
InChIKeyZUCPSLYBIJGQLA-UHFFFAOYSA-N
XLogP1.97
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.98
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 CID 58681854?
The IUPAC name of CID 58681854 (CID 58681854) is not available.
What is the SMILES notation for CID 58681854?
The canonical SMILES for CID 58681854 is [CH2-]C.[CH2-]N1C[C-](C)C1.[CH3-].[W+2].[Y].
What is the InChIKey of CID 58681854?
The InChIKey is ZUCPSLYBIJGQLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N.C2H5.CH3.W.Y/c1-5-3-6(2)4-5;1-2;;;/h2-4H2,1H3;1H2,2H3;1H3;;/q-2;2*-1;+2;.
What are the key properties of CID 58681854?
CID 58681854 has a molecular weight of 399.98 g/mol, XLogP of 1.97, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58681854 is sourced from PubChem (CID 58681854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).