N-ethyl-N-(pyrrolidin-1-ium-1-ylidenemethyl)ethanamine;uranium(2+)

C9H17N2U+ — CID 59079049

IUPACN-ethyl-N-(pyrrolidin-1-ium-1-ylidenemethyl)ethanamine;uranium(2+)
SMILES[CH2-]CN(C=[N+]1CCCC1)C[CH2-].[U+2]
InChIInChI=1S/C9H17N2.U/c1-3-10(4-2)9-11-7-5-6-8-11;/h9H,1-8H2;/q-1;+2
InChIKeyQHMHTKSUNNKCLN-UHFFFAOYSA-N
MW391.28 g/mol
LogP0.79
Rot. Bonds3

About N-ethyl-N-(pyrrolidin-1-ium-1-ylidenemethyl)ethanamine;uranium(2+)

N-ethyl-N-(pyrrolidin-1-ium-1-ylidenemethyl)ethanamine;uranium(2+) (PubChem CID 59079049) has the molecular formula C9H17N2U+ and a molecular weight of 391.28 g/mol. Its IUPAC name is N-ethyl-N-(pyrrolidin-1-ium-1-ylidenemethyl)ethanamine;uranium(2+).

Molecular Properties

Compound NameN-ethyl-N-(pyrrolidin-1-ium-1-ylidenemethyl)ethanamine;uranium(2+)
PubChem CID59079049
Molecular FormulaC9H17N2U+
Molecular Weight391.28 g/mol
Exact Mass391.19
IUPAC NameN-ethyl-N-(pyrrolidin-1-ium-1-ylidenemethyl)ethanamine;uranium(2+)
SMILES[CH2-]CN(C=[N+]1CCCC1)C[CH2-].[U+2]
InChIInChI=1S/C9H17N2.U/c1-3-10(4-2)9-11-7-5-6-8-11;/h9H,1-8H2;/q-1;+2
InChIKeyQHMHTKSUNNKCLN-UHFFFAOYSA-N
XLogP0.79
TPSA6.25 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.28
LogP ≤ 50.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

Methanimine, 1-(1-pyrrolidinyl), N-butyl
CID 523928
Methanimine, 1-(1-pyrrolidinyl), N-propyl
CID 523935
Di(ethyl)-methylideneazanium;1-methylidenepyrrolidin-1-ium;uranium(2+)
CID 158927014
N-ethyl-N-(pyrrolidin-1-ium-1-ylidenemethyl)ethanamine
CID 59079050

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(pyrrolidin-1-ium-1-ylidenemethyl)ethanamine;uranium(2+)?
The IUPAC name of N-ethyl-N-(pyrrolidin-1-ium-1-ylidenemethyl)ethanamine;uranium(2+) (CID 59079049) is N-ethyl-N-(pyrrolidin-1-ium-1-ylidenemethyl)ethanamine;uranium(2+).
What is the SMILES notation for N-ethyl-N-(pyrrolidin-1-ium-1-ylidenemethyl)ethanamine;uranium(2+)?
The canonical SMILES for N-ethyl-N-(pyrrolidin-1-ium-1-ylidenemethyl)ethanamine;uranium(2+) is [CH2-]CN(C=[N+]1CCCC1)C[CH2-].[U+2].
What is the InChIKey of N-ethyl-N-(pyrrolidin-1-ium-1-ylidenemethyl)ethanamine;uranium(2+)?
The InChIKey is QHMHTKSUNNKCLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N2.U/c1-3-10(4-2)9-11-7-5-6-8-11;/h9H,1-8H2;/q-1;+2.
What are the key properties of N-ethyl-N-(pyrrolidin-1-ium-1-ylidenemethyl)ethanamine;uranium(2+)?
N-ethyl-N-(pyrrolidin-1-ium-1-ylidenemethyl)ethanamine;uranium(2+) has a molecular weight of 391.28 g/mol, XLogP of 0.79, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(pyrrolidin-1-ium-1-ylidenemethyl)ethanamine;uranium(2+) is sourced from PubChem (CID 59079049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).