1-[(3R)-pyrrolidin-3-yl]ethanimine

C6H12N2 — CID 142640278

IUPAC1-[(3R)-pyrrolidin-3-yl]ethanimine
SMILES[H]/N=C(\C)[C@@H]1CCNC1
InChIInChI=1S/C6H12N2/c1-5(7)6-2-3-8-4-6/h6-8H,2-4H2,1H3/b7-5+/t6-/m1/s1
InChIKeyDJSLAZYEARGEOB-LUFONEFESA-N
MW112.18 g/mol
LogP0.64
Rot. Bonds1

About 1-[(3R)-pyrrolidin-3-yl]ethanimine

1-[(3R)-pyrrolidin-3-yl]ethanimine (PubChem CID 142640278) has the molecular formula C6H12N2 and a molecular weight of 112.18 g/mol. Its IUPAC name is 1-[(3R)-pyrrolidin-3-yl]ethanimine.

Molecular Properties

Compound Name1-[(3R)-pyrrolidin-3-yl]ethanimine
PubChem CID142640278
Molecular FormulaC6H12N2
Molecular Weight112.18 g/mol
Exact Mass112.10
IUPAC Name1-[(3R)-pyrrolidin-3-yl]ethanimine
SMILES[H]/N=C(\C)[C@@H]1CCNC1
InChIInChI=1S/C6H12N2/c1-5(7)6-2-3-8-4-6/h6-8H,2-4H2,1H3/b7-5+/t6-/m1/s1
InChIKeyDJSLAZYEARGEOB-LUFONEFESA-N
XLogP0.64
TPSA35.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.18
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(4-piperidin-4-ylcyclohexyl)ethanimine
CID 90931366
3-[(E)-but-2-en-2-yl]pyrrolidine
CID 122236928
2-methyl-1-[(3R)-pyrrolidin-3-yl]prop-2-en-1-one
CID 165464726
N-acetylpyrrolidine-3-carboxamide
CID 69120322
2-methylsulfanyl-1-piperidin-4-ylethanimine
CID 123203720
methyl pyrrolidine-3-carboxylate
CID 4114360
3-methyl-1-pyrrolidin-3-ylbut-3-en-1-one
CID 116568395
3-methyl-1-[(3S)-pyrrolidin-3-yl]but-3-en-1-one
CID 165462735
2-hydroxy-1-pyrrolidin-3-ylpropan-1-one
CID 91245652
1-piperidin-4-ylethanone
CID 2723764
ethane;methanol;3-methylpyrrolidine
CID 143573656
3-methylpyrrolidine;phosphinous acid
CID 142914115

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-pyrrolidin-3-yl]ethanimine?
The IUPAC name of 1-[(3R)-pyrrolidin-3-yl]ethanimine (CID 142640278) is 1-[(3R)-pyrrolidin-3-yl]ethanimine.
What is the SMILES notation for 1-[(3R)-pyrrolidin-3-yl]ethanimine?
The canonical SMILES for 1-[(3R)-pyrrolidin-3-yl]ethanimine is [H]/N=C(\C)[C@@H]1CCNC1.
What is the InChIKey of 1-[(3R)-pyrrolidin-3-yl]ethanimine?
The InChIKey is DJSLAZYEARGEOB-LUFONEFESA-N. The full InChI is InChI=1S/C6H12N2/c1-5(7)6-2-3-8-4-6/h6-8H,2-4H2,1H3/b7-5+/t6-/m1/s1.
What are the key properties of 1-[(3R)-pyrrolidin-3-yl]ethanimine?
1-[(3R)-pyrrolidin-3-yl]ethanimine has a molecular weight of 112.18 g/mol, XLogP of 0.64, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-pyrrolidin-3-yl]ethanimine is sourced from PubChem (CID 142640278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).