(2S)-N,N-dibenzyl-1-benzyliminopropan-2-amine

C24H26N2 — CID 14791975

IUPAC(2S)-N,N-dibenzyl-1-benzyliminopropan-2-amine
SMILESC[C@@H](/C=N/Cc1ccccc1)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C24H26N2/c1-21(17-25-18-22-11-5-2-6-12-22)26(19-23-13-7-3-8-14-23)20-24-15-9-4-10-16-24/h2-17,21H,18-20H2,1H3/b25-17+/t21-/m0/s1
InChIKeyQRVUTBGAPNXCPH-DIWDRYHZSA-N
MW342.49 g/mol
LogP5.35
Rot. Bonds8

About (2S)-N,N-dibenzyl-1-benzyliminopropan-2-amine

(2S)-N,N-dibenzyl-1-benzyliminopropan-2-amine (PubChem CID 14791975) has the molecular formula C24H26N2 and a molecular weight of 342.49 g/mol. Its IUPAC name is (2S)-N,N-dibenzyl-1-benzyliminopropan-2-amine.

Molecular Properties

Compound Name(2S)-N,N-dibenzyl-1-benzyliminopropan-2-amine
PubChem CID14791975
Molecular FormulaC24H26N2
Molecular Weight342.49 g/mol
Exact Mass342.21
IUPAC Name(2S)-N,N-dibenzyl-1-benzyliminopropan-2-amine
SMILESC[C@@H](/C=N/Cc1ccccc1)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C24H26N2/c1-21(17-25-18-22-11-5-2-6-12-22)26(19-23-13-7-3-8-14-23)20-24-15-9-4-10-16-24/h2-17,21H,18-20H2,1H3/b25-17+/t21-/m0/s1
InChIKeyQRVUTBGAPNXCPH-DIWDRYHZSA-N
XLogP5.35
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.49
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 (2S)-N,N-dibenzyl-1-benzyliminopropan-2-amine?
The IUPAC name of (2S)-N,N-dibenzyl-1-benzyliminopropan-2-amine (CID 14791975) is (2S)-N,N-dibenzyl-1-benzyliminopropan-2-amine.
What is the SMILES notation for (2S)-N,N-dibenzyl-1-benzyliminopropan-2-amine?
The canonical SMILES for (2S)-N,N-dibenzyl-1-benzyliminopropan-2-amine is C[C@@H](/C=N/Cc1ccccc1)N(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of (2S)-N,N-dibenzyl-1-benzyliminopropan-2-amine?
The InChIKey is QRVUTBGAPNXCPH-DIWDRYHZSA-N. The full InChI is InChI=1S/C24H26N2/c1-21(17-25-18-22-11-5-2-6-12-22)26(19-23-13-7-3-8-14-23)20-24-15-9-4-10-16-24/h2-17,21H,18-20H2,1H3/b25-17+/t21-/m0/s1.
What are the key properties of (2S)-N,N-dibenzyl-1-benzyliminopropan-2-amine?
(2S)-N,N-dibenzyl-1-benzyliminopropan-2-amine has a molecular weight of 342.49 g/mol, XLogP of 5.35, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N,N-dibenzyl-1-benzyliminopropan-2-amine is sourced from PubChem (CID 14791975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).