N-ethyl-1-(2-methanidylidene-3-propan-2-yl-1-pyridinyl)methanimine;yttrium

C12H16N2Y-2 — CID 164767452

IUPACN-ethyl-1-(2-methanidylidene-3-propan-2-yl-1-pyridinyl)methanimine;yttrium
SMILES[H]/[C-]=C1\C(C(C)C)=CC=CN1/[C-]=N/CC.[Y]
InChIInChI=1S/C12H16N2.Y/c1-5-13-9-14-8-6-7-12(10(2)3)11(14)4;/h4,6-8,10H,5H2,1-3H3;/q-2;
InChIKeySBQAHSFLCCKXKI-UHFFFAOYSA-N
MW277.18 g/mol
LogP2.64
Rot. Bonds3

About N-ethyl-1-(2-methanidylidene-3-propan-2-yl-1-pyridinyl)methanimine;yttrium

N-ethyl-1-(2-methanidylidene-3-propan-2-yl-1-pyridinyl)methanimine;yttrium (PubChem CID 164767452) has the molecular formula C12H16N2Y-2 and a molecular weight of 277.18 g/mol. Its IUPAC name is N-ethyl-1-(2-methanidylidene-3-propan-2-yl-1-pyridinyl)methanimine;yttrium.

Molecular Properties

Compound NameN-ethyl-1-(2-methanidylidene-3-propan-2-yl-1-pyridinyl)methanimine;yttrium
PubChem CID164767452
Molecular FormulaC12H16N2Y-2
Molecular Weight277.18 g/mol
Exact Mass277.04
IUPAC NameN-ethyl-1-(2-methanidylidene-3-propan-2-yl-1-pyridinyl)methanimine;yttrium
SMILES[H]/[C-]=C1\C(C(C)C)=CC=CN1/[C-]=N/CC.[Y]
InChIInChI=1S/C12H16N2.Y/c1-5-13-9-14-8-6-7-12(10(2)3)11(14)4;/h4,6-8,10H,5H2,1-3H3;/q-2;
InChIKeySBQAHSFLCCKXKI-UHFFFAOYSA-N
XLogP2.64
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.18
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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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Related Compounds

5-Propan-2-yl-4-propyl-6,7-dihydropyrrolo[1,2-c]pyrimidine
CID 90857986
1-(Cyclohexa-2,4-dien-1-ylmethyl)-3-methyl-5,6-dihydrobenzimidazol-3-ium
CID 123877246
7-Butyl-2-methyl-7,9-diazabicyclo[4.3.1]deca-1,3,6(10),8-tetraene
CID 146594033
N-ethyl-1-(2-methyl-4-propan-2-yl-2H-pyridin-1-yl)methanimine
CID 170615933
1-(3-Methylbutyl)-5,6-dihydrobenzimidazole
CID 175624984
5-ethyl-7-propan-2-yl-3H-imidazo[1,5-a]pyridin-3-ide;rubidium(1+)
CID 177176418
methane;5-methyl-7-propan-2-yl-3H-imidazo[1,5-a]pyridin-3-ide;rubidium(1+)
CID 177176640
5,7-di(propan-2-yl)-3H-imidazo[1,5-a]pyridin-3-ide;rubidium(1+)
CID 177176727
1,3-dimethyl-5H-quinazolin-3-ium
CID 136076142
N-ethyl-1-(2-methylidene-3-propan-2-yl-1-pyridinyl)methanimine
CID 164767453

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(2-methanidylidene-3-propan-2-yl-1-pyridinyl)methanimine;yttrium?
The IUPAC name of N-ethyl-1-(2-methanidylidene-3-propan-2-yl-1-pyridinyl)methanimine;yttrium (CID 164767452) is N-ethyl-1-(2-methanidylidene-3-propan-2-yl-1-pyridinyl)methanimine;yttrium.
What is the SMILES notation for N-ethyl-1-(2-methanidylidene-3-propan-2-yl-1-pyridinyl)methanimine;yttrium?
The canonical SMILES for N-ethyl-1-(2-methanidylidene-3-propan-2-yl-1-pyridinyl)methanimine;yttrium is [H]/[C-]=C1\C(C(C)C)=CC=CN1/[C-]=N/CC.[Y].
What is the InChIKey of N-ethyl-1-(2-methanidylidene-3-propan-2-yl-1-pyridinyl)methanimine;yttrium?
The InChIKey is SBQAHSFLCCKXKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2.Y/c1-5-13-9-14-8-6-7-12(10(2)3)11(14)4;/h4,6-8,10H,5H2,1-3H3;/q-2;.
What are the key properties of N-ethyl-1-(2-methanidylidene-3-propan-2-yl-1-pyridinyl)methanimine;yttrium?
N-ethyl-1-(2-methanidylidene-3-propan-2-yl-1-pyridinyl)methanimine;yttrium has a molecular weight of 277.18 g/mol, XLogP of 2.64, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(2-methanidylidene-3-propan-2-yl-1-pyridinyl)methanimine;yttrium is sourced from PubChem (CID 164767452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).