1-N,2-N-dibenzylpyrrolidine-1,2-diamine

C18H23N3 — CID 139933372

IUPAC1-N,2-N-dibenzylpyrrolidine-1,2-diamine
SMILESc1ccc(CNC2CCCN2NCc2ccccc2)cc1
InChIInChI=1S/C18H23N3/c1-3-8-16(9-4-1)14-19-18-12-7-13-21(18)20-15-17-10-5-2-6-11-17/h1-6,8-11,18-20H,7,12-15H2
InChIKeyLLHYJHVMKVFRRO-UHFFFAOYSA-N
MW281.40 g/mol
LogP2.90
Rot. Bonds6

About 1-N,2-N-dibenzylpyrrolidine-1,2-diamine

1-N,2-N-dibenzylpyrrolidine-1,2-diamine (PubChem CID 139933372) has the molecular formula C18H23N3 and a molecular weight of 281.40 g/mol. Its IUPAC name is 1-N,2-N-dibenzylpyrrolidine-1,2-diamine.

Molecular Properties

Compound Name1-N,2-N-dibenzylpyrrolidine-1,2-diamine
PubChem CID139933372
Molecular FormulaC18H23N3
Molecular Weight281.40 g/mol
Exact Mass281.19
IUPAC Name1-N,2-N-dibenzylpyrrolidine-1,2-diamine
SMILESc1ccc(CNC2CCCN2NCc2ccccc2)cc1
InChIInChI=1S/C18H23N3/c1-3-8-16(9-4-1)14-19-18-12-7-13-21(18)20-15-17-10-5-2-6-11-17/h1-6,8-11,18-20H,7,12-15H2
InChIKeyLLHYJHVMKVFRRO-UHFFFAOYSA-N
XLogP2.90
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-N,2-N-dibenzylpyrrolidine-1,2-diamine?
The IUPAC name of 1-N,2-N-dibenzylpyrrolidine-1,2-diamine (CID 139933372) is 1-N,2-N-dibenzylpyrrolidine-1,2-diamine.
What is the SMILES notation for 1-N,2-N-dibenzylpyrrolidine-1,2-diamine?
The canonical SMILES for 1-N,2-N-dibenzylpyrrolidine-1,2-diamine is c1ccc(CNC2CCCN2NCc2ccccc2)cc1.
What is the InChIKey of 1-N,2-N-dibenzylpyrrolidine-1,2-diamine?
The InChIKey is LLHYJHVMKVFRRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3/c1-3-8-16(9-4-1)14-19-18-12-7-13-21(18)20-15-17-10-5-2-6-11-17/h1-6,8-11,18-20H,7,12-15H2.
What are the key properties of 1-N,2-N-dibenzylpyrrolidine-1,2-diamine?
1-N,2-N-dibenzylpyrrolidine-1,2-diamine has a molecular weight of 281.40 g/mol, XLogP of 2.90, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N,2-N-dibenzylpyrrolidine-1,2-diamine is sourced from PubChem (CID 139933372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).