(2S)-N,N-dibenzyl-1-benzylimino-3-methylbutan-2-amine

C26H30N2 — CID 14791978

IUPAC(2S)-N,N-dibenzyl-1-benzylimino-3-methylbutan-2-amine
SMILESCC(C)[C@@H](/C=N/Cc1ccccc1)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C26H30N2/c1-22(2)26(19-27-18-23-12-6-3-7-13-23)28(20-24-14-8-4-9-15-24)21-25-16-10-5-11-17-25/h3-17,19,22,26H,18,20-21H2,1-2H3/b27-19+/t26-/m1/s1
InChIKeyCVCJGOZNOGOEQX-KVYREEOHSA-N
MW370.54 g/mol
LogP5.98
Rot. Bonds9

About (2S)-N,N-dibenzyl-1-benzylimino-3-methylbutan-2-amine

(2S)-N,N-dibenzyl-1-benzylimino-3-methylbutan-2-amine (PubChem CID 14791978) has the molecular formula C26H30N2 and a molecular weight of 370.54 g/mol. Its IUPAC name is (2S)-N,N-dibenzyl-1-benzylimino-3-methylbutan-2-amine.

Molecular Properties

Compound Name(2S)-N,N-dibenzyl-1-benzylimino-3-methylbutan-2-amine
PubChem CID14791978
Molecular FormulaC26H30N2
Molecular Weight370.54 g/mol
Exact Mass370.24
IUPAC Name(2S)-N,N-dibenzyl-1-benzylimino-3-methylbutan-2-amine
SMILESCC(C)[C@@H](/C=N/Cc1ccccc1)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C26H30N2/c1-22(2)26(19-27-18-23-12-6-3-7-13-23)28(20-24-14-8-4-9-15-24)21-25-16-10-5-11-17-25/h3-17,19,22,26H,18,20-21H2,1-2H3/b27-19+/t26-/m1/s1
InChIKeyCVCJGOZNOGOEQX-KVYREEOHSA-N
XLogP5.98
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.54
LogP ≤ 55.98
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-benzylimino-3-methylbutan-2-amine?
The IUPAC name of (2S)-N,N-dibenzyl-1-benzylimino-3-methylbutan-2-amine (CID 14791978) is (2S)-N,N-dibenzyl-1-benzylimino-3-methylbutan-2-amine.
What is the SMILES notation for (2S)-N,N-dibenzyl-1-benzylimino-3-methylbutan-2-amine?
The canonical SMILES for (2S)-N,N-dibenzyl-1-benzylimino-3-methylbutan-2-amine is CC(C)[C@@H](/C=N/Cc1ccccc1)N(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of (2S)-N,N-dibenzyl-1-benzylimino-3-methylbutan-2-amine?
The InChIKey is CVCJGOZNOGOEQX-KVYREEOHSA-N. The full InChI is InChI=1S/C26H30N2/c1-22(2)26(19-27-18-23-12-6-3-7-13-23)28(20-24-14-8-4-9-15-24)21-25-16-10-5-11-17-25/h3-17,19,22,26H,18,20-21H2,1-2H3/b27-19+/t26-/m1/s1.
What are the key properties of (2S)-N,N-dibenzyl-1-benzylimino-3-methylbutan-2-amine?
(2S)-N,N-dibenzyl-1-benzylimino-3-methylbutan-2-amine has a molecular weight of 370.54 g/mol, XLogP of 5.98, 9 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-benzylimino-3-methylbutan-2-amine is sourced from PubChem (CID 14791978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).