N-(2-ethylcyclopropen-1-yl)-2-(1-methylpyrrolidin-2-yl)ethanimine

C12H20N2 — CID 166713673

IUPACN-(2-ethylcyclopropen-1-yl)-2-(1-methylpyrrolidin-2-yl)ethanimine
SMILESCCC1=C(/N=C/CC2CCCN2C)C1
InChIInChI=1S/C12H20N2/c1-3-10-9-12(10)13-7-6-11-5-4-8-14(11)2/h7,11H,3-6,8-9H2,1-2H3/b13-7+
InChIKeyWZEWHQKJSWUKLY-NTUHNPAUSA-N
MW192.31 g/mol
LogP2.61
Rot. Bonds4

About N-(2-ethylcyclopropen-1-yl)-2-(1-methylpyrrolidin-2-yl)ethanimine

N-(2-ethylcyclopropen-1-yl)-2-(1-methylpyrrolidin-2-yl)ethanimine (PubChem CID 166713673) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is N-(2-ethylcyclopropen-1-yl)-2-(1-methylpyrrolidin-2-yl)ethanimine.

Molecular Properties

Compound NameN-(2-ethylcyclopropen-1-yl)-2-(1-methylpyrrolidin-2-yl)ethanimine
PubChem CID166713673
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC NameN-(2-ethylcyclopropen-1-yl)-2-(1-methylpyrrolidin-2-yl)ethanimine
SMILESCCC1=C(/N=C/CC2CCCN2C)C1
InChIInChI=1S/C12H20N2/c1-3-10-9-12(10)13-7-6-11-5-4-8-14(11)2/h7,11H,3-6,8-9H2,1-2H3/b13-7+
InChIKeyWZEWHQKJSWUKLY-NTUHNPAUSA-N
XLogP2.61
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 52.61
H-Bond Donors ≤ 50
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-(2-ethylcyclopropen-1-yl)-2-(1-methylpyrrolidin-2-yl)ethanimine?
The IUPAC name of N-(2-ethylcyclopropen-1-yl)-2-(1-methylpyrrolidin-2-yl)ethanimine (CID 166713673) is N-(2-ethylcyclopropen-1-yl)-2-(1-methylpyrrolidin-2-yl)ethanimine.
What is the SMILES notation for N-(2-ethylcyclopropen-1-yl)-2-(1-methylpyrrolidin-2-yl)ethanimine?
The canonical SMILES for N-(2-ethylcyclopropen-1-yl)-2-(1-methylpyrrolidin-2-yl)ethanimine is CCC1=C(/N=C/CC2CCCN2C)C1.
What is the InChIKey of N-(2-ethylcyclopropen-1-yl)-2-(1-methylpyrrolidin-2-yl)ethanimine?
The InChIKey is WZEWHQKJSWUKLY-NTUHNPAUSA-N. The full InChI is InChI=1S/C12H20N2/c1-3-10-9-12(10)13-7-6-11-5-4-8-14(11)2/h7,11H,3-6,8-9H2,1-2H3/b13-7+.
What are the key properties of N-(2-ethylcyclopropen-1-yl)-2-(1-methylpyrrolidin-2-yl)ethanimine?
N-(2-ethylcyclopropen-1-yl)-2-(1-methylpyrrolidin-2-yl)ethanimine has a molecular weight of 192.31 g/mol, XLogP of 2.61, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylcyclopropen-1-yl)-2-(1-methylpyrrolidin-2-yl)ethanimine is sourced from PubChem (CID 166713673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).