(E)-3-methylimino-1-[(5-propan-2-yl-4H-pyridin-4-id-2-yl)oxy]prop-1-en-1-amine;yttrium

C12H16N3OY- — CID 177235695

IUPAC(E)-3-methylimino-1-[(5-propan-2-yl-4H-pyridin-4-id-2-yl)oxy]prop-1-en-1-amine;yttrium
SMILESC/N=C/C=C(\N)Oc1c[c-]c(C(C)C)cn1.[Y]
InChIInChI=1S/C12H16N3O.Y/c1-9(2)10-4-5-12(15-8-10)16-11(13)6-7-14-3;/h5-9H,13H2,1-3H3;/q-1;/b11-6+,14-7+;
InChIKeyDRKOHWXTEICLRJ-YPTHPUDHSA-N
MW307.19 g/mol
LogP1.88
Rot. Bonds4

About (E)-3-methylimino-1-[(5-propan-2-yl-4H-pyridin-4-id-2-yl)oxy]prop-1-en-1-amine;yttrium

(E)-3-methylimino-1-[(5-propan-2-yl-4H-pyridin-4-id-2-yl)oxy]prop-1-en-1-amine;yttrium (PubChem CID 177235695) has the molecular formula C12H16N3OY- and a molecular weight of 307.19 g/mol. Its IUPAC name is (E)-3-methylimino-1-[(5-propan-2-yl-4H-pyridin-4-id-2-yl)oxy]prop-1-en-1-amine;yttrium.

Molecular Properties

Compound Name(E)-3-methylimino-1-[(5-propan-2-yl-4H-pyridin-4-id-2-yl)oxy]prop-1-en-1-amine;yttrium
PubChem CID177235695
Molecular FormulaC12H16N3OY-
Molecular Weight307.19 g/mol
Exact Mass307.04
IUPAC Name(E)-3-methylimino-1-[(5-propan-2-yl-4H-pyridin-4-id-2-yl)oxy]prop-1-en-1-amine;yttrium
SMILESC/N=C/C=C(\N)Oc1c[c-]c(C(C)C)cn1.[Y]
InChIInChI=1S/C12H16N3O.Y/c1-9(2)10-4-5-12(15-8-10)16-11(13)6-7-14-3;/h5-9H,13H2,1-3H3;/q-1;/b11-6+,14-7+;
InChIKeyDRKOHWXTEICLRJ-YPTHPUDHSA-N
XLogP1.88
TPSA60.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.19
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-3-methylimino-1-[(5-propan-2-yl-4H-pyridin-4-id-2-yl)oxy]prop-1-en-1-amine;yttrium?
The IUPAC name of (E)-3-methylimino-1-[(5-propan-2-yl-4H-pyridin-4-id-2-yl)oxy]prop-1-en-1-amine;yttrium (CID 177235695) is (E)-3-methylimino-1-[(5-propan-2-yl-4H-pyridin-4-id-2-yl)oxy]prop-1-en-1-amine;yttrium.
What is the SMILES notation for (E)-3-methylimino-1-[(5-propan-2-yl-4H-pyridin-4-id-2-yl)oxy]prop-1-en-1-amine;yttrium?
The canonical SMILES for (E)-3-methylimino-1-[(5-propan-2-yl-4H-pyridin-4-id-2-yl)oxy]prop-1-en-1-amine;yttrium is C/N=C/C=C(\N)Oc1c[c-]c(C(C)C)cn1.[Y].
What is the InChIKey of (E)-3-methylimino-1-[(5-propan-2-yl-4H-pyridin-4-id-2-yl)oxy]prop-1-en-1-amine;yttrium?
The InChIKey is DRKOHWXTEICLRJ-YPTHPUDHSA-N. The full InChI is InChI=1S/C12H16N3O.Y/c1-9(2)10-4-5-12(15-8-10)16-11(13)6-7-14-3;/h5-9H,13H2,1-3H3;/q-1;/b11-6+,14-7+;.
What are the key properties of (E)-3-methylimino-1-[(5-propan-2-yl-4H-pyridin-4-id-2-yl)oxy]prop-1-en-1-amine;yttrium?
(E)-3-methylimino-1-[(5-propan-2-yl-4H-pyridin-4-id-2-yl)oxy]prop-1-en-1-amine;yttrium has a molecular weight of 307.19 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-methylimino-1-[(5-propan-2-yl-4H-pyridin-4-id-2-yl)oxy]prop-1-en-1-amine;yttrium is sourced from PubChem (CID 177235695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).