N,1-dibenzylpyrrolidin-3-amine

C18H22N2 — CID 14098325

IUPACN,1-dibenzylpyrrolidin-3-amine
SMILESc1ccc(CNC2CCN(Cc3ccccc3)C2)cc1
InChIInChI=1S/C18H22N2/c1-3-7-16(8-4-1)13-19-18-11-12-20(15-18)14-17-9-5-2-6-10-17/h1-10,18-19H,11-15H2
InChIKeyBHEXKVGLZMEJRQ-UHFFFAOYSA-N
MW266.39 g/mol
LogP3.05
Rot. Bonds5

About N,1-dibenzylpyrrolidin-3-amine

N,1-dibenzylpyrrolidin-3-amine (PubChem CID 14098325) has the molecular formula C18H22N2 and a molecular weight of 266.39 g/mol. Its IUPAC name is N,1-dibenzylpyrrolidin-3-amine.

Molecular Properties

Compound NameN,1-dibenzylpyrrolidin-3-amine
PubChem CID14098325
Molecular FormulaC18H22N2
Molecular Weight266.39 g/mol
Exact Mass266.18
IUPAC NameN,1-dibenzylpyrrolidin-3-amine
SMILESc1ccc(CNC2CCN(Cc3ccccc3)C2)cc1
InChIInChI=1S/C18H22N2/c1-3-7-16(8-4-1)13-19-18-11-12-20(15-18)14-17-9-5-2-6-10-17/h1-10,18-19H,11-15H2
InChIKeyBHEXKVGLZMEJRQ-UHFFFAOYSA-N
XLogP3.05
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,1-dibenzylpyrrolidin-3-amine?
The IUPAC name of N,1-dibenzylpyrrolidin-3-amine (CID 14098325) is N,1-dibenzylpyrrolidin-3-amine.
What is the SMILES notation for N,1-dibenzylpyrrolidin-3-amine?
The canonical SMILES for N,1-dibenzylpyrrolidin-3-amine is c1ccc(CNC2CCN(Cc3ccccc3)C2)cc1.
What is the InChIKey of N,1-dibenzylpyrrolidin-3-amine?
The InChIKey is BHEXKVGLZMEJRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2/c1-3-7-16(8-4-1)13-19-18-11-12-20(15-18)14-17-9-5-2-6-10-17/h1-10,18-19H,11-15H2.
What are the key properties of N,1-dibenzylpyrrolidin-3-amine?
N,1-dibenzylpyrrolidin-3-amine has a molecular weight of 266.39 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-dibenzylpyrrolidin-3-amine is sourced from PubChem (CID 14098325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).