N-(2-pyrrolidin-1-ium-1-ylethoxy)methanimine

C7H15N2O+ — CID 59636290

IUPACN-(2-pyrrolidin-1-ium-1-ylethoxy)methanimine
SMILESC=NOCC[NH+]1CCCC1
InChIInChI=1S/C7H14N2O/c1-8-10-7-6-9-4-2-3-5-9/h1-7H2/p+1
InChIKeyOQVLFTFQVYBVIK-UHFFFAOYSA-O
MW143.21 g/mol
LogP-0.70
Rot. Bonds4

About N-(2-pyrrolidin-1-ium-1-ylethoxy)methanimine

N-(2-pyrrolidin-1-ium-1-ylethoxy)methanimine (PubChem CID 59636290) has the molecular formula C7H15N2O+ and a molecular weight of 143.21 g/mol. Its IUPAC name is N-(2-pyrrolidin-1-ium-1-ylethoxy)methanimine.

Molecular Properties

Compound NameN-(2-pyrrolidin-1-ium-1-ylethoxy)methanimine
PubChem CID59636290
Molecular FormulaC7H15N2O+
Molecular Weight143.21 g/mol
Exact Mass143.12
IUPAC NameN-(2-pyrrolidin-1-ium-1-ylethoxy)methanimine
SMILESC=NOCC[NH+]1CCCC1
InChIInChI=1S/C7H14N2O/c1-8-10-7-6-9-4-2-3-5-9/h1-7H2/p+1
InChIKeyOQVLFTFQVYBVIK-UHFFFAOYSA-O
XLogP-0.70
TPSA26.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.21
LogP ≤ 5-0.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-pyrrolidin-1-ium-1-ylethoxy)methanimine?
The IUPAC name of N-(2-pyrrolidin-1-ium-1-ylethoxy)methanimine (CID 59636290) is N-(2-pyrrolidin-1-ium-1-ylethoxy)methanimine.
What is the SMILES notation for N-(2-pyrrolidin-1-ium-1-ylethoxy)methanimine?
The canonical SMILES for N-(2-pyrrolidin-1-ium-1-ylethoxy)methanimine is C=NOCC[NH+]1CCCC1.
What is the InChIKey of N-(2-pyrrolidin-1-ium-1-ylethoxy)methanimine?
The InChIKey is OQVLFTFQVYBVIK-UHFFFAOYSA-O. The full InChI is InChI=1S/C7H14N2O/c1-8-10-7-6-9-4-2-3-5-9/h1-7H2/p+1.
What are the key properties of N-(2-pyrrolidin-1-ium-1-ylethoxy)methanimine?
N-(2-pyrrolidin-1-ium-1-ylethoxy)methanimine has a molecular weight of 143.21 g/mol, XLogP of -0.70, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-pyrrolidin-1-ium-1-ylethoxy)methanimine is sourced from PubChem (CID 59636290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).