3-amino-N-methyl-3-methyliminopropanamide;methane;yttrium

C6H14N3OY- — CID 159236645

IUPAC3-amino-N-methyl-3-methyliminopropanamide;methane;yttrium
SMILESC.C/N=C(\N)[CH-]C(=O)NC.[Y]
InChIInChI=1S/C5H10N3O.CH4.Y/c1-7-4(6)3-5(9)8-2;;/h3H,1-2H3,(H2,6,7)(H,8,9);1H4;/q-1;;
InChIKeyKSYPGNKJSBNRMS-UHFFFAOYSA-N
MW233.10 g/mol
LogP-0.44
Rot. Bonds2

About 3-amino-N-methyl-3-methyliminopropanamide;methane;yttrium

3-amino-N-methyl-3-methyliminopropanamide;methane;yttrium (PubChem CID 159236645) has the molecular formula C6H14N3OY- and a molecular weight of 233.10 g/mol. Its IUPAC name is 3-amino-N-methyl-3-methyliminopropanamide;methane;yttrium.

Molecular Properties

Compound Name3-amino-N-methyl-3-methyliminopropanamide;methane;yttrium
PubChem CID159236645
Molecular FormulaC6H14N3OY-
Molecular Weight233.10 g/mol
Exact Mass233.02
IUPAC Name3-amino-N-methyl-3-methyliminopropanamide;methane;yttrium
SMILESC.C/N=C(\N)[CH-]C(=O)NC.[Y]
InChIInChI=1S/C5H10N3O.CH4.Y/c1-7-4(6)3-5(9)8-2;;/h3H,1-2H3,(H2,6,7)(H,8,9);1H4;/q-1;;
InChIKeyKSYPGNKJSBNRMS-UHFFFAOYSA-N
XLogP-0.44
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.10
LogP ≤ 5-0.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-methyl-3-methyliminopropanamide;methane;yttrium?
The IUPAC name of 3-amino-N-methyl-3-methyliminopropanamide;methane;yttrium (CID 159236645) is 3-amino-N-methyl-3-methyliminopropanamide;methane;yttrium.
What is the SMILES notation for 3-amino-N-methyl-3-methyliminopropanamide;methane;yttrium?
The canonical SMILES for 3-amino-N-methyl-3-methyliminopropanamide;methane;yttrium is C.C/N=C(\N)[CH-]C(=O)NC.[Y].
What is the InChIKey of 3-amino-N-methyl-3-methyliminopropanamide;methane;yttrium?
The InChIKey is KSYPGNKJSBNRMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N3O.CH4.Y/c1-7-4(6)3-5(9)8-2;;/h3H,1-2H3,(H2,6,7)(H,8,9);1H4;/q-1;;.
What are the key properties of 3-amino-N-methyl-3-methyliminopropanamide;methane;yttrium?
3-amino-N-methyl-3-methyliminopropanamide;methane;yttrium has a molecular weight of 233.10 g/mol, XLogP of -0.44, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-methyl-3-methyliminopropanamide;methane;yttrium is sourced from PubChem (CID 159236645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).