ethyl-(1-phenylpropylideneamino)azanide;yttrium

C11H14N2Y-2 — CID 163477381

IUPACethyl-(1-phenylpropylideneamino)azanide;yttrium
SMILESCC[N-]N=C(CC)c1[c-]cccc1.[Y]
InChIInChI=1S/C11H14N2.Y/c1-3-11(13-12-4-2)10-8-6-5-7-9-10;/h5-8H,3-4H2,1-2H3;/q-2;
InChIKeyKDHAUGUGTUOCCW-UHFFFAOYSA-N
MW263.15 g/mol
LogP2.99
Rot. Bonds4

About ethyl-(1-phenylpropylideneamino)azanide;yttrium

ethyl-(1-phenylpropylideneamino)azanide;yttrium (PubChem CID 163477381) has the molecular formula C11H14N2Y-2 and a molecular weight of 263.15 g/mol. Its IUPAC name is ethyl-(1-phenylpropylideneamino)azanide;yttrium.

Molecular Properties

Compound Nameethyl-(1-phenylpropylideneamino)azanide;yttrium
PubChem CID163477381
Molecular FormulaC11H14N2Y-2
Molecular Weight263.15 g/mol
Exact Mass263.02
IUPAC Nameethyl-(1-phenylpropylideneamino)azanide;yttrium
SMILESCC[N-]N=C(CC)c1[c-]cccc1.[Y]
InChIInChI=1S/C11H14N2.Y/c1-3-11(13-12-4-2)10-8-6-5-7-9-10;/h5-8H,3-4H2,1-2H3;/q-2;
InChIKeyKDHAUGUGTUOCCW-UHFFFAOYSA-N
XLogP2.99
TPSA26.46 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.15
LogP ≤ 52.99
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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

Ukezcehrdolnmq-uhfffaoysa-
CID 23270060
1-methyl-5H-phthalazin-5-ide;yttrium
CID 59098045
6-ethenyl-3-ethyl-1-methyl-8aH-cinnoline
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2-methyl-3H-cinnoline
CID 144086324
N-methyl-N-[(E)-(3-methylcyclohexa-2,4-dien-1-ylidene)amino]ethanamine
CID 144181886
ethane;N-methyl-N-[(Z)-(6-methylidenecyclohexa-2,4-dien-1-ylidene)amino]ethanamine
CID 145680456
[(2-Dimethylboranyl-1-phenylethylidene)amino]-ethylazanide;yttrium
CID 149500854
N-iodo-N-[(Z)-(6-methylidenecyclohexa-2,4-dien-1-ylidene)amino]methanamine
CID 155000429
N-[(Z)-[(6Z)-6-ethylidenecyclohexa-2,4-dien-1-ylidene]amino]-N-methylethanamine
CID 142524312
2-propyl-3H-cinnoline
CID 145513168
N-methyl-N-[(Z)-(6-methylidenecyclohexa-2,4-dien-1-ylidene)amino]ethanamine
CID 145680457

Frequently Asked Questions

What is the IUPAC name of ethyl-(1-phenylpropylideneamino)azanide;yttrium?
The IUPAC name of ethyl-(1-phenylpropylideneamino)azanide;yttrium (CID 163477381) is ethyl-(1-phenylpropylideneamino)azanide;yttrium.
What is the SMILES notation for ethyl-(1-phenylpropylideneamino)azanide;yttrium?
The canonical SMILES for ethyl-(1-phenylpropylideneamino)azanide;yttrium is CC[N-]N=C(CC)c1[c-]cccc1.[Y].
What is the InChIKey of ethyl-(1-phenylpropylideneamino)azanide;yttrium?
The InChIKey is KDHAUGUGTUOCCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2.Y/c1-3-11(13-12-4-2)10-8-6-5-7-9-10;/h5-8H,3-4H2,1-2H3;/q-2;.
What are the key properties of ethyl-(1-phenylpropylideneamino)azanide;yttrium?
ethyl-(1-phenylpropylideneamino)azanide;yttrium has a molecular weight of 263.15 g/mol, XLogP of 2.99, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-(1-phenylpropylideneamino)azanide;yttrium is sourced from PubChem (CID 163477381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).