(Z)-N-butoxypropan-2-imine;4-methanidyl-2,2,6,6-tetramethylheptan-3-one;yttrium

C19H37NO2Y-2 — CID 172919709

IUPAC(Z)-N-butoxypropan-2-imine;4-methanidyl-2,2,6,6-tetramethylheptan-3-one;yttrium
SMILES[CH2-]/C(C)=N/OCCCC.[CH2-]C(CC(C)(C)C)C(=O)C(C)(C)C.[Y]
InChIInChI=1S/C12H23O.C7H14NO.Y/c1-9(8-11(2,3)4)10(13)12(5,6)7;1-4-5-6-9-8-7(2)3;/h9H,1,8H2,2-7H3;2,4-6H2,1,3H3;/q2*-1;/b;8-7-;
InChIKeyXOQRDXFPANAPCY-HXIBTQJOSA-N
MW400.42 g/mol
LogP5.50
Rot. Bonds6

About (Z)-N-butoxypropan-2-imine;4-methanidyl-2,2,6,6-tetramethylheptan-3-one;yttrium

(Z)-N-butoxypropan-2-imine;4-methanidyl-2,2,6,6-tetramethylheptan-3-one;yttrium (PubChem CID 172919709) has the molecular formula C19H37NO2Y-2 and a molecular weight of 400.42 g/mol. Its IUPAC name is (Z)-N-butoxypropan-2-imine;4-methanidyl-2,2,6,6-tetramethylheptan-3-one;yttrium.

Molecular Properties

Compound Name(Z)-N-butoxypropan-2-imine;4-methanidyl-2,2,6,6-tetramethylheptan-3-one;yttrium
PubChem CID172919709
Molecular FormulaC19H37NO2Y-2
Molecular Weight400.42 g/mol
Exact Mass400.19
IUPAC Name(Z)-N-butoxypropan-2-imine;4-methanidyl-2,2,6,6-tetramethylheptan-3-one;yttrium
SMILES[CH2-]/C(C)=N/OCCCC.[CH2-]C(CC(C)(C)C)C(=O)C(C)(C)C.[Y]
InChIInChI=1S/C12H23O.C7H14NO.Y/c1-9(8-11(2,3)4)10(13)12(5,6)7;1-4-5-6-9-8-7(2)3;/h9H,1,8H2,2-7H3;2,4-6H2,1,3H3;/q2*-1;/b;8-7-;
InChIKeyXOQRDXFPANAPCY-HXIBTQJOSA-N
XLogP5.50
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.42
LogP ≤ 55.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (Z)-N-butoxypropan-2-imine;4-methanidyl-2,2,6,6-tetramethylheptan-3-one;yttrium with MolForge

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Related Compounds

(E)-N-methanidyloxypentan-1-imine;4-methanidyl-2,2,6,6-tetramethylheptan-3-one;yttrium
CID 172922737
cobalt;2-N,3-N-dibutoxybutane-2,3-diimine
CID 174757879
2-iodo-N-methanidylacetamide;4-methanidyl-2,2,6,6-tetramethylheptan-3-one;yttrium
CID 147292069
(E)-3,3-dimethyl-N-propoxybutan-2-imine
CID 88538853
butanehydrazide;4-methanidyl-2,2,6,6-tetramethylheptan-3-one;yttrium
CID 158601152
ethene;2,2,4-trimethyloctan-3-one
CID 162023724
1,1,3,3-tetrabutoxypropan-2-one
CID 546234
dibutyl (Z)-2,3-dimethylbut-2-enedioate
CID 87788407
(4S)-4-amino-2,2-dimethyloctan-3-one;ethane;molecular hydrogen
CID 177241681
dibutyl 2-(3,3-dimethylbutan-2-ylidene)propanedioate
CID 134607594
N-hexoxypropan-2-imine;N-pentoxypropan-2-imine
CID 91028134
2-nonoxyimino-1-phenylpropan-1-one
CID 150656295

Frequently Asked Questions

What is the IUPAC name of (Z)-N-butoxypropan-2-imine;4-methanidyl-2,2,6,6-tetramethylheptan-3-one;yttrium?
The IUPAC name of (Z)-N-butoxypropan-2-imine;4-methanidyl-2,2,6,6-tetramethylheptan-3-one;yttrium (CID 172919709) is (Z)-N-butoxypropan-2-imine;4-methanidyl-2,2,6,6-tetramethylheptan-3-one;yttrium.
What is the SMILES notation for (Z)-N-butoxypropan-2-imine;4-methanidyl-2,2,6,6-tetramethylheptan-3-one;yttrium?
The canonical SMILES for (Z)-N-butoxypropan-2-imine;4-methanidyl-2,2,6,6-tetramethylheptan-3-one;yttrium is [CH2-]/C(C)=N/OCCCC.[CH2-]C(CC(C)(C)C)C(=O)C(C)(C)C.[Y].
What is the InChIKey of (Z)-N-butoxypropan-2-imine;4-methanidyl-2,2,6,6-tetramethylheptan-3-one;yttrium?
The InChIKey is XOQRDXFPANAPCY-HXIBTQJOSA-N. The full InChI is InChI=1S/C12H23O.C7H14NO.Y/c1-9(8-11(2,3)4)10(13)12(5,6)7;1-4-5-6-9-8-7(2)3;/h9H,1,8H2,2-7H3;2,4-6H2,1,3H3;/q2*-1;/b;8-7-;.
What are the key properties of (Z)-N-butoxypropan-2-imine;4-methanidyl-2,2,6,6-tetramethylheptan-3-one;yttrium?
(Z)-N-butoxypropan-2-imine;4-methanidyl-2,2,6,6-tetramethylheptan-3-one;yttrium has a molecular weight of 400.42 g/mol, XLogP of 5.50, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-butoxypropan-2-imine;4-methanidyl-2,2,6,6-tetramethylheptan-3-one;yttrium is sourced from PubChem (CID 172919709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).