N-ethyl-1-(4-methylpyrrolidin-3-yl)ethanimine

C9H18N2 — CID 123172103

IUPACN-ethyl-1-(4-methylpyrrolidin-3-yl)ethanimine
SMILESCC/N=C(\C)C1CNCC1C
InChIInChI=1S/C9H18N2/c1-4-11-8(3)9-6-10-5-7(9)2/h7,9-10H,4-6H2,1-3H3/b11-8+
InChIKeyINCLJORXMLJXEG-DHZHZOJOSA-N
MW154.26 g/mol
LogP1.32
Rot. Bonds2

About N-ethyl-1-(4-methylpyrrolidin-3-yl)ethanimine

N-ethyl-1-(4-methylpyrrolidin-3-yl)ethanimine (PubChem CID 123172103) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is N-ethyl-1-(4-methylpyrrolidin-3-yl)ethanimine.

Molecular Properties

Compound NameN-ethyl-1-(4-methylpyrrolidin-3-yl)ethanimine
PubChem CID123172103
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC NameN-ethyl-1-(4-methylpyrrolidin-3-yl)ethanimine
SMILESCC/N=C(\C)C1CNCC1C
InChIInChI=1S/C9H18N2/c1-4-11-8(3)9-6-10-5-7(9)2/h7,9-10H,4-6H2,1-3H3/b11-8+
InChIKeyINCLJORXMLJXEG-DHZHZOJOSA-N
XLogP1.32
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(4-methylpyrrolidin-3-yl)ethanimine?
The IUPAC name of N-ethyl-1-(4-methylpyrrolidin-3-yl)ethanimine (CID 123172103) is N-ethyl-1-(4-methylpyrrolidin-3-yl)ethanimine.
What is the SMILES notation for N-ethyl-1-(4-methylpyrrolidin-3-yl)ethanimine?
The canonical SMILES for N-ethyl-1-(4-methylpyrrolidin-3-yl)ethanimine is CC/N=C(\C)C1CNCC1C.
What is the InChIKey of N-ethyl-1-(4-methylpyrrolidin-3-yl)ethanimine?
The InChIKey is INCLJORXMLJXEG-DHZHZOJOSA-N. The full InChI is InChI=1S/C9H18N2/c1-4-11-8(3)9-6-10-5-7(9)2/h7,9-10H,4-6H2,1-3H3/b11-8+.
What are the key properties of N-ethyl-1-(4-methylpyrrolidin-3-yl)ethanimine?
N-ethyl-1-(4-methylpyrrolidin-3-yl)ethanimine has a molecular weight of 154.26 g/mol, XLogP of 1.32, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(4-methylpyrrolidin-3-yl)ethanimine is sourced from PubChem (CID 123172103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).