1-pyrrolidin-1-ylethanimine

C6H12N2 — CID 10855418

IUPAC1-pyrrolidin-1-ylethanimine
SMILES[H]/N=C(\C)N1CCCC1
InChIInChI=1S/C6H12N2/c1-6(7)8-4-2-3-5-8/h7H,2-5H2,1H3/b7-6+
InChIKeyLAILHIOPQOSEOS-VOTSOKGWSA-N
MW112.18 g/mol
LogP1.08
Rot. Bonds

About 1-pyrrolidin-1-ylethanimine

1-pyrrolidin-1-ylethanimine (PubChem CID 10855418) has the molecular formula C6H12N2 and a molecular weight of 112.18 g/mol. Its IUPAC name is 1-pyrrolidin-1-ylethanimine.

Molecular Properties

Compound Name1-pyrrolidin-1-ylethanimine
PubChem CID10855418
Molecular FormulaC6H12N2
Molecular Weight112.18 g/mol
Exact Mass112.10
IUPAC Name1-pyrrolidin-1-ylethanimine
SMILES[H]/N=C(\C)N1CCCC1
InChIInChI=1S/C6H12N2/c1-6(7)8-4-2-3-5-8/h7H,2-5H2,1H3/b7-6+
InChIKeyLAILHIOPQOSEOS-VOTSOKGWSA-N
XLogP1.08
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.18
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-pyrrolidin-1-ylethanimine?
The IUPAC name of 1-pyrrolidin-1-ylethanimine (CID 10855418) is 1-pyrrolidin-1-ylethanimine.
What is the SMILES notation for 1-pyrrolidin-1-ylethanimine?
The canonical SMILES for 1-pyrrolidin-1-ylethanimine is [H]/N=C(\C)N1CCCC1.
What is the InChIKey of 1-pyrrolidin-1-ylethanimine?
The InChIKey is LAILHIOPQOSEOS-VOTSOKGWSA-N. The full InChI is InChI=1S/C6H12N2/c1-6(7)8-4-2-3-5-8/h7H,2-5H2,1H3/b7-6+.
What are the key properties of 1-pyrrolidin-1-ylethanimine?
1-pyrrolidin-1-ylethanimine has a molecular weight of 112.18 g/mol, XLogP of 1.08, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyrrolidin-1-ylethanimine is sourced from PubChem (CID 10855418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).