N-ethyl-N-(ethyliminomethyl)ethanamine;bis(5-methylcyclopenta-1,3-diene);yttrium(3+)

C19H29N2Y — CID 176657285

IUPACN-ethyl-N-(ethyliminomethyl)ethanamine;bis(5-methylcyclopenta-1,3-diene);yttrium(3+)
SMILESCC/N=[C-]\N(CC)CC.C[c-]1cccc1.C[c-]1cccc1.[Y+3]
InChIInChI=1S/C7H15N2.2C6H7.Y/c1-4-8-7-9(5-2)6-3;2*1-6-4-2-3-5-6;/h4-6H2,1-3H3;2*2-5H,1H3;/q3*-1;+3
InChIKeyTWVGSJLASHYJDR-UHFFFAOYSA-N
MW374.36 g/mol
LogP4.68
Rot. Bonds4

About N-ethyl-N-(ethyliminomethyl)ethanamine;bis(5-methylcyclopenta-1,3-diene);yttrium(3+)

N-ethyl-N-(ethyliminomethyl)ethanamine;bis(5-methylcyclopenta-1,3-diene);yttrium(3+) (PubChem CID 176657285) has the molecular formula C19H29N2Y and a molecular weight of 374.36 g/mol. Its IUPAC name is N-ethyl-N-(ethyliminomethyl)ethanamine;bis(5-methylcyclopenta-1,3-diene);yttrium(3+).

Molecular Properties

Compound NameN-ethyl-N-(ethyliminomethyl)ethanamine;bis(5-methylcyclopenta-1,3-diene);yttrium(3+)
PubChem CID176657285
Molecular FormulaC19H29N2Y
Molecular Weight374.36 g/mol
Exact Mass374.14
IUPAC NameN-ethyl-N-(ethyliminomethyl)ethanamine;bis(5-methylcyclopenta-1,3-diene);yttrium(3+)
SMILESCC/N=[C-]\N(CC)CC.C[c-]1cccc1.C[c-]1cccc1.[Y+3]
InChIInChI=1S/C7H15N2.2C6H7.Y/c1-4-8-7-9(5-2)6-3;2*1-6-4-2-3-5-6;/h4-6H2,1-3H3;2*2-5H,1H3;/q3*-1;+3
InChIKeyTWVGSJLASHYJDR-UHFFFAOYSA-N
XLogP4.68
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.36
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(ethyliminomethyl)ethanamine;bis(5-methylcyclopenta-1,3-diene);yttrium(3+)?
The IUPAC name of N-ethyl-N-(ethyliminomethyl)ethanamine;bis(5-methylcyclopenta-1,3-diene);yttrium(3+) (CID 176657285) is N-ethyl-N-(ethyliminomethyl)ethanamine;bis(5-methylcyclopenta-1,3-diene);yttrium(3+).
What is the SMILES notation for N-ethyl-N-(ethyliminomethyl)ethanamine;bis(5-methylcyclopenta-1,3-diene);yttrium(3+)?
The canonical SMILES for N-ethyl-N-(ethyliminomethyl)ethanamine;bis(5-methylcyclopenta-1,3-diene);yttrium(3+) is CC/N=[C-]\N(CC)CC.C[c-]1cccc1.C[c-]1cccc1.[Y+3].
What is the InChIKey of N-ethyl-N-(ethyliminomethyl)ethanamine;bis(5-methylcyclopenta-1,3-diene);yttrium(3+)?
The InChIKey is TWVGSJLASHYJDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N2.2C6H7.Y/c1-4-8-7-9(5-2)6-3;2*1-6-4-2-3-5-6;/h4-6H2,1-3H3;2*2-5H,1H3;/q3*-1;+3.
What are the key properties of N-ethyl-N-(ethyliminomethyl)ethanamine;bis(5-methylcyclopenta-1,3-diene);yttrium(3+)?
N-ethyl-N-(ethyliminomethyl)ethanamine;bis(5-methylcyclopenta-1,3-diene);yttrium(3+) has a molecular weight of 374.36 g/mol, XLogP of 4.68, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(ethyliminomethyl)ethanamine;bis(5-methylcyclopenta-1,3-diene);yttrium(3+) is sourced from PubChem (CID 176657285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).