2-phenyl-1-pyrrolidin-1-ylethanimine

C12H16N2 — CID 54561938

IUPAC2-phenyl-1-pyrrolidin-1-ylethanimine
SMILES[H]/N=C(/Cc1ccccc1)N1CCCC1
InChIInChI=1S/C12H16N2/c13-12(14-8-4-5-9-14)10-11-6-2-1-3-7-11/h1-3,6-7,13H,4-5,8-10H2/b13-12-
InChIKeyBBXZHXLKUNPEMI-SEYXRHQNSA-N
MW188.27 g/mol
LogP2.30
Rot. Bonds2

About 2-phenyl-1-pyrrolidin-1-ylethanimine

2-phenyl-1-pyrrolidin-1-ylethanimine (PubChem CID 54561938) has the molecular formula C12H16N2 and a molecular weight of 188.27 g/mol. Its IUPAC name is 2-phenyl-1-pyrrolidin-1-ylethanimine.

Molecular Properties

Compound Name2-phenyl-1-pyrrolidin-1-ylethanimine
PubChem CID54561938
Molecular FormulaC12H16N2
Molecular Weight188.27 g/mol
Exact Mass188.13
IUPAC Name2-phenyl-1-pyrrolidin-1-ylethanimine
SMILES[H]/N=C(/Cc1ccccc1)N1CCCC1
InChIInChI=1S/C12H16N2/c13-12(14-8-4-5-9-14)10-11-6-2-1-3-7-11/h1-3,6-7,13H,4-5,8-10H2/b13-12-
InChIKeyBBXZHXLKUNPEMI-SEYXRHQNSA-N
XLogP2.30
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 52.30
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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Related Compounds

2-pyridin-4-yl-1-pyrrolidin-1-ylethanimine
CID 63179471
2-(3-chlorophenyl)-1-pyrrolidin-1-ylethanimine
CID 62048646
2-(3,4-dimethylphenyl)-1-piperidin-1-ylethanimine
CID 63179716
1-(azepan-1-yl)-2-phenylethanethione
CID 19832475
2-phenyl-1-(2-piperidin-1-ylphenyl)ethanimine
CID 10684019
1-(azetidin-1-yl)-2-phenylethanone
CID 18670940
2-phenylethanimidamide
CID 27787
methyl 4-(3-oxobutanoyl)-1-(2-phenylethanimidoyl)piperazine-2-carboxylate
CID 123549543
(4-benzylpiperazin-1-yl)-pyrrolidin-1-ylmethanone
CID 108987856
1,14-di(piperidin-1-yl)tetradecane-1,14-diimine
CID 24740523
2-(azetidin-1-yl)-1-pyrrolidin-1-ylethanimine
CID 131071424
(4-benzylpiperazin-1-yl)-cyclohexylmethanimine
CID 63178264

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-1-pyrrolidin-1-ylethanimine?
The IUPAC name of 2-phenyl-1-pyrrolidin-1-ylethanimine (CID 54561938) is 2-phenyl-1-pyrrolidin-1-ylethanimine.
What is the SMILES notation for 2-phenyl-1-pyrrolidin-1-ylethanimine?
The canonical SMILES for 2-phenyl-1-pyrrolidin-1-ylethanimine is [H]/N=C(/Cc1ccccc1)N1CCCC1.
What is the InChIKey of 2-phenyl-1-pyrrolidin-1-ylethanimine?
The InChIKey is BBXZHXLKUNPEMI-SEYXRHQNSA-N. The full InChI is InChI=1S/C12H16N2/c13-12(14-8-4-5-9-14)10-11-6-2-1-3-7-11/h1-3,6-7,13H,4-5,8-10H2/b13-12-.
What are the key properties of 2-phenyl-1-pyrrolidin-1-ylethanimine?
2-phenyl-1-pyrrolidin-1-ylethanimine has a molecular weight of 188.27 g/mol, XLogP of 2.30, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-1-pyrrolidin-1-ylethanimine is sourced from PubChem (CID 54561938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).