2-iodo-N-methanidylacetamide;4-methanidyl-2,2,6,6-tetramethylheptan-3-one;yttrium

C15H28INO2Y-2 — CID 147292069

IUPAC2-iodo-N-methanidylacetamide;4-methanidyl-2,2,6,6-tetramethylheptan-3-one;yttrium
SMILES[CH2-]C(CC(C)(C)C)C(=O)C(C)(C)C.[CH2-]NC(=O)CI.[Y]
InChIInChI=1S/C12H23O.C3H5INO.Y/c1-9(8-11(2,3)4)10(13)12(5,6)7;1-5-3(6)2-4;/h9H,1,8H2,2-7H3;1-2H2,(H,5,6);/q2*-1;
InChIKeyMIDJPBWSKHHYRY-UHFFFAOYSA-N
MW470.20 g/mol
LogP3.81
Rot. Bonds3

About 2-iodo-N-methanidylacetamide;4-methanidyl-2,2,6,6-tetramethylheptan-3-one;yttrium

2-iodo-N-methanidylacetamide;4-methanidyl-2,2,6,6-tetramethylheptan-3-one;yttrium (PubChem CID 147292069) has the molecular formula C15H28INO2Y-2 and a molecular weight of 470.20 g/mol. Its IUPAC name is 2-iodo-N-methanidylacetamide;4-methanidyl-2,2,6,6-tetramethylheptan-3-one;yttrium.

Molecular Properties

Compound Name2-iodo-N-methanidylacetamide;4-methanidyl-2,2,6,6-tetramethylheptan-3-one;yttrium
PubChem CID147292069
Molecular FormulaC15H28INO2Y-2
Molecular Weight470.20 g/mol
Exact Mass470.02
IUPAC Name2-iodo-N-methanidylacetamide;4-methanidyl-2,2,6,6-tetramethylheptan-3-one;yttrium
SMILES[CH2-]C(CC(C)(C)C)C(=O)C(C)(C)C.[CH2-]NC(=O)CI.[Y]
InChIInChI=1S/C12H23O.C3H5INO.Y/c1-9(8-11(2,3)4)10(13)12(5,6)7;1-5-3(6)2-4;/h9H,1,8H2,2-7H3;1-2H2,(H,5,6);/q2*-1;
InChIKeyMIDJPBWSKHHYRY-UHFFFAOYSA-N
XLogP3.81
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.20
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-iodo-N-methanidylacetamide;4-methanidyl-2,2,6,6-tetramethylheptan-3-one;yttrium?
The IUPAC name of 2-iodo-N-methanidylacetamide;4-methanidyl-2,2,6,6-tetramethylheptan-3-one;yttrium (CID 147292069) is 2-iodo-N-methanidylacetamide;4-methanidyl-2,2,6,6-tetramethylheptan-3-one;yttrium.
What is the SMILES notation for 2-iodo-N-methanidylacetamide;4-methanidyl-2,2,6,6-tetramethylheptan-3-one;yttrium?
The canonical SMILES for 2-iodo-N-methanidylacetamide;4-methanidyl-2,2,6,6-tetramethylheptan-3-one;yttrium is [CH2-]C(CC(C)(C)C)C(=O)C(C)(C)C.[CH2-]NC(=O)CI.[Y].
What is the InChIKey of 2-iodo-N-methanidylacetamide;4-methanidyl-2,2,6,6-tetramethylheptan-3-one;yttrium?
The InChIKey is MIDJPBWSKHHYRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23O.C3H5INO.Y/c1-9(8-11(2,3)4)10(13)12(5,6)7;1-5-3(6)2-4;/h9H,1,8H2,2-7H3;1-2H2,(H,5,6);/q2*-1;.
What are the key properties of 2-iodo-N-methanidylacetamide;4-methanidyl-2,2,6,6-tetramethylheptan-3-one;yttrium?
2-iodo-N-methanidylacetamide;4-methanidyl-2,2,6,6-tetramethylheptan-3-one;yttrium has a molecular weight of 470.20 g/mol, XLogP of 3.81, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-N-methanidylacetamide;4-methanidyl-2,2,6,6-tetramethylheptan-3-one;yttrium is sourced from PubChem (CID 147292069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).