2-benzyl-4,6-bis(benzylimino)-1,3,5-triazinan-2-amine

C24H26N6 — CID 154502942

IUPAC2-benzyl-4,6-bis(benzylimino)-1,3,5-triazinan-2-amine
SMILESNC1(Cc2ccccc2)N/C(=N/Cc2ccccc2)N/C(=N\Cc2ccccc2)N1
InChIInChI=1S/C24H26N6/c25-24(16-19-10-4-1-5-11-19)29-22(26-17-20-12-6-2-7-13-20)28-23(30-24)27-18-21-14-8-3-9-15-21/h1-15H,16-18,25H2,(H3,26,27,28,29,30)
InChIKeyAVCPJZBLHUSQSY-UHFFFAOYSA-N
MW398.51 g/mol
LogP2.74
Rot. Bonds6

About 2-benzyl-4,6-bis(benzylimino)-1,3,5-triazinan-2-amine

2-benzyl-4,6-bis(benzylimino)-1,3,5-triazinan-2-amine (PubChem CID 154502942) has the molecular formula C24H26N6 and a molecular weight of 398.51 g/mol. Its IUPAC name is 2-benzyl-4,6-bis(benzylimino)-1,3,5-triazinan-2-amine.

Molecular Properties

Compound Name2-benzyl-4,6-bis(benzylimino)-1,3,5-triazinan-2-amine
PubChem CID154502942
Molecular FormulaC24H26N6
Molecular Weight398.51 g/mol
Exact Mass398.22
IUPAC Name2-benzyl-4,6-bis(benzylimino)-1,3,5-triazinan-2-amine
SMILESNC1(Cc2ccccc2)N/C(=N/Cc2ccccc2)N/C(=N\Cc2ccccc2)N1
InChIInChI=1S/C24H26N6/c25-24(16-19-10-4-1-5-11-19)29-22(26-17-20-12-6-2-7-13-20)28-23(30-24)27-18-21-14-8-3-9-15-21/h1-15H,16-18,25H2,(H3,26,27,28,29,30)
InChIKeyAVCPJZBLHUSQSY-UHFFFAOYSA-N
XLogP2.74
TPSA86.83 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.51
LogP ≤ 52.74
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

11-N,28-N-dibenzyl-10,12,27,29-tetrazapentacyclo[28.4.0.04,9.013,18.021,26]tetratriaconta-1(34),4,6,8,13,15,17,21,23,25,30,32-dodecaene-11,28-diimine
CID 136732292
2-benzylimino-5-prop-2-enyl-1,3-diazinane-4,6-dione
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6,6-dimethyl-4-N-nonyl-2-N-(2-phenylethyl)-1,3,5-triazinane-2,4-diimine
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1-(N'-benzylcarbamimidoyl)-2-nonylguanidine;2-N-benzyl-6,6-dimethyl-4-N-undecyl-1,3,5-triazinane-2,4-diimine;oxalic acid;dihydrochloride
CID 158840427
(4Z)-4-benzylidene-5-benzyliminoimidazolidin-2-one
CID 135604884
4-benzylimino-6-(4-fluorophenyl)-1,3,5-triazinan-2-one
CID 137129940
4-benzyl-1-methylpiperidin-4-amine
CID 39065776
CID 14687861
CID 14687861
N-benzyl-2,4-dimethylpentan-3-imine
CID 15160187
2-benzylimino-5-ethyl-1,3-thiazolidin-4-one
CID 137289996
benzyliminotungsten
CID 21354480
3-amino-3-benzyl-1-phenylaziridin-2-one
CID 22094809

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-4,6-bis(benzylimino)-1,3,5-triazinan-2-amine?
The IUPAC name of 2-benzyl-4,6-bis(benzylimino)-1,3,5-triazinan-2-amine (CID 154502942) is 2-benzyl-4,6-bis(benzylimino)-1,3,5-triazinan-2-amine.
What is the SMILES notation for 2-benzyl-4,6-bis(benzylimino)-1,3,5-triazinan-2-amine?
The canonical SMILES for 2-benzyl-4,6-bis(benzylimino)-1,3,5-triazinan-2-amine is NC1(Cc2ccccc2)N/C(=N/Cc2ccccc2)N/C(=N\Cc2ccccc2)N1.
What is the InChIKey of 2-benzyl-4,6-bis(benzylimino)-1,3,5-triazinan-2-amine?
The InChIKey is AVCPJZBLHUSQSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6/c25-24(16-19-10-4-1-5-11-19)29-22(26-17-20-12-6-2-7-13-20)28-23(30-24)27-18-21-14-8-3-9-15-21/h1-15H,16-18,25H2,(H3,26,27,28,29,30).
What are the key properties of 2-benzyl-4,6-bis(benzylimino)-1,3,5-triazinan-2-amine?
2-benzyl-4,6-bis(benzylimino)-1,3,5-triazinan-2-amine has a molecular weight of 398.51 g/mol, XLogP of 2.74, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-4,6-bis(benzylimino)-1,3,5-triazinan-2-amine is sourced from PubChem (CID 154502942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).