N-methanidyl-1-[(methanidylamino)methoxymethoxy]methanamine;yttrium

C5H12N2O2Y-2 — CID 58761148

IUPACN-methanidyl-1-[(methanidylamino)methoxymethoxy]methanamine;yttrium
SMILES[CH2-]NCOCOCN[CH2-].[Y]
InChIInChI=1S/C5H12N2O2.Y/c1-6-3-8-5-9-4-7-2;/h6-7H,1-5H2;/q-2;
InChIKeyKACYLZFYZFAWDA-UHFFFAOYSA-N
MW221.07 g/mol
LogP-0.35
Rot. Bonds6

About N-methanidyl-1-[(methanidylamino)methoxymethoxy]methanamine;yttrium

N-methanidyl-1-[(methanidylamino)methoxymethoxy]methanamine;yttrium (PubChem CID 58761148) has the molecular formula C5H12N2O2Y-2 and a molecular weight of 221.07 g/mol. Its IUPAC name is N-methanidyl-1-[(methanidylamino)methoxymethoxy]methanamine;yttrium.

Molecular Properties

Compound NameN-methanidyl-1-[(methanidylamino)methoxymethoxy]methanamine;yttrium
PubChem CID58761148
Molecular FormulaC5H12N2O2Y-2
Molecular Weight221.07 g/mol
Exact Mass221.00
IUPAC NameN-methanidyl-1-[(methanidylamino)methoxymethoxy]methanamine;yttrium
SMILES[CH2-]NCOCOCN[CH2-].[Y]
InChIInChI=1S/C5H12N2O2.Y/c1-6-3-8-5-9-4-7-2;/h6-7H,1-5H2;/q-2;
InChIKeyKACYLZFYZFAWDA-UHFFFAOYSA-N
XLogP-0.35
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.07
LogP ≤ 5-0.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methanidyl-1-[(methanidylamino)methoxymethoxy]methanamine;yttrium?
The IUPAC name of N-methanidyl-1-[(methanidylamino)methoxymethoxy]methanamine;yttrium (CID 58761148) is N-methanidyl-1-[(methanidylamino)methoxymethoxy]methanamine;yttrium.
What is the SMILES notation for N-methanidyl-1-[(methanidylamino)methoxymethoxy]methanamine;yttrium?
The canonical SMILES for N-methanidyl-1-[(methanidylamino)methoxymethoxy]methanamine;yttrium is [CH2-]NCOCOCN[CH2-].[Y].
What is the InChIKey of N-methanidyl-1-[(methanidylamino)methoxymethoxy]methanamine;yttrium?
The InChIKey is KACYLZFYZFAWDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N2O2.Y/c1-6-3-8-5-9-4-7-2;/h6-7H,1-5H2;/q-2;.
What are the key properties of N-methanidyl-1-[(methanidylamino)methoxymethoxy]methanamine;yttrium?
N-methanidyl-1-[(methanidylamino)methoxymethoxy]methanamine;yttrium has a molecular weight of 221.07 g/mol, XLogP of -0.35, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methanidyl-1-[(methanidylamino)methoxymethoxy]methanamine;yttrium is sourced from PubChem (CID 58761148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).