N-ethyl-N-(pyrrolidin-1-ium-1-ylidenemethyl)ethanamine

C9H19N2+ — CID 59079050

IUPACN-ethyl-N-(pyrrolidin-1-ium-1-ylidenemethyl)ethanamine
SMILESCCN(C=[N+]1CCCC1)CC
InChIInChI=1S/C9H19N2/c1-3-10(4-2)9-11-7-5-6-8-11/h9H,3-8H2,1-2H3/q+1
InChIKeySRKDQIIIQHMUKD-UHFFFAOYSA-N
MW155.26 g/mol
LogP1.16
Rot. Bonds3

About N-ethyl-N-(pyrrolidin-1-ium-1-ylidenemethyl)ethanamine

N-ethyl-N-(pyrrolidin-1-ium-1-ylidenemethyl)ethanamine (PubChem CID 59079050) has the molecular formula C9H19N2+ and a molecular weight of 155.26 g/mol. Its IUPAC name is N-ethyl-N-(pyrrolidin-1-ium-1-ylidenemethyl)ethanamine.

Molecular Properties

Compound NameN-ethyl-N-(pyrrolidin-1-ium-1-ylidenemethyl)ethanamine
PubChem CID59079050
Molecular FormulaC9H19N2+
Molecular Weight155.26 g/mol
Exact Mass155.15
IUPAC NameN-ethyl-N-(pyrrolidin-1-ium-1-ylidenemethyl)ethanamine
SMILESCCN(C=[N+]1CCCC1)CC
InChIInChI=1S/C9H19N2/c1-3-10(4-2)9-11-7-5-6-8-11/h9H,3-8H2,1-2H3/q+1
InChIKeySRKDQIIIQHMUKD-UHFFFAOYSA-N
XLogP1.16
TPSA6.25 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.26
LogP ≤ 51.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(pyrrolidin-1-ium-1-ylidenemethyl)ethanamine?
The IUPAC name of N-ethyl-N-(pyrrolidin-1-ium-1-ylidenemethyl)ethanamine (CID 59079050) is N-ethyl-N-(pyrrolidin-1-ium-1-ylidenemethyl)ethanamine.
What is the SMILES notation for N-ethyl-N-(pyrrolidin-1-ium-1-ylidenemethyl)ethanamine?
The canonical SMILES for N-ethyl-N-(pyrrolidin-1-ium-1-ylidenemethyl)ethanamine is CCN(C=[N+]1CCCC1)CC.
What is the InChIKey of N-ethyl-N-(pyrrolidin-1-ium-1-ylidenemethyl)ethanamine?
The InChIKey is SRKDQIIIQHMUKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N2/c1-3-10(4-2)9-11-7-5-6-8-11/h9H,3-8H2,1-2H3/q+1.
What are the key properties of N-ethyl-N-(pyrrolidin-1-ium-1-ylidenemethyl)ethanamine?
N-ethyl-N-(pyrrolidin-1-ium-1-ylidenemethyl)ethanamine has a molecular weight of 155.26 g/mol, XLogP of 1.16, 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 is sourced from PubChem (CID 59079050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).