1-benzhydrylpyrrolidin-2-imine

C17H18N2 — CID 43167156

IUPAC1-benzhydrylpyrrolidin-2-imine
SMILES[H]/N=C1\CCCN1C(c1ccccc1)c1ccccc1
InChIInChI=1S/C17H18N2/c18-16-12-7-13-19(16)17(14-8-3-1-4-9-14)15-10-5-2-6-11-15/h1-6,8-11,17-18H,7,12-13H2/b18-16+
InChIKeyVLKAHZCAZIMZAM-FBMGVBCBSA-N
MW250.35 g/mol
LogP3.85
Rot. Bonds3

About 1-benzhydrylpyrrolidin-2-imine

1-benzhydrylpyrrolidin-2-imine (PubChem CID 43167156) has the molecular formula C17H18N2 and a molecular weight of 250.35 g/mol. Its IUPAC name is 1-benzhydrylpyrrolidin-2-imine.

Molecular Properties

Compound Name1-benzhydrylpyrrolidin-2-imine
PubChem CID43167156
Molecular FormulaC17H18N2
Molecular Weight250.35 g/mol
Exact Mass250.15
IUPAC Name1-benzhydrylpyrrolidin-2-imine
SMILES[H]/N=C1\CCCN1C(c1ccccc1)c1ccccc1
InChIInChI=1S/C17H18N2/c18-16-12-7-13-19(16)17(14-8-3-1-4-9-14)15-10-5-2-6-11-15/h1-6,8-11,17-18H,7,12-13H2/b18-16+
InChIKeyVLKAHZCAZIMZAM-FBMGVBCBSA-N
XLogP3.85
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 1-benzhydrylpyrrolidin-2-imine?
The IUPAC name of 1-benzhydrylpyrrolidin-2-imine (CID 43167156) is 1-benzhydrylpyrrolidin-2-imine.
What is the SMILES notation for 1-benzhydrylpyrrolidin-2-imine?
The canonical SMILES for 1-benzhydrylpyrrolidin-2-imine is [H]/N=C1\CCCN1C(c1ccccc1)c1ccccc1.
What is the InChIKey of 1-benzhydrylpyrrolidin-2-imine?
The InChIKey is VLKAHZCAZIMZAM-FBMGVBCBSA-N. The full InChI is InChI=1S/C17H18N2/c18-16-12-7-13-19(16)17(14-8-3-1-4-9-14)15-10-5-2-6-11-15/h1-6,8-11,17-18H,7,12-13H2/b18-16+.
What are the key properties of 1-benzhydrylpyrrolidin-2-imine?
1-benzhydrylpyrrolidin-2-imine has a molecular weight of 250.35 g/mol, XLogP of 3.85, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzhydrylpyrrolidin-2-imine is sourced from PubChem (CID 43167156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).