2-N,4-N-dibenzyl-1-N,4-N-dimethylbenzene-1,2,4,5-tetramine

C22H26N4 — CID 23135705

IUPAC2-N,4-N-dibenzyl-1-N,4-N-dimethylbenzene-1,2,4,5-tetramine
SMILESCNc1cc(N)c(N(C)Cc2ccccc2)cc1NCc1ccccc1
InChIInChI=1S/C22H26N4/c1-24-20-13-19(23)22(26(2)16-18-11-7-4-8-12-18)14-21(20)25-15-17-9-5-3-6-10-17/h3-14,24-25H,15-16,23H2,1-2H3
InChIKeyPUGAEVDMZLFOGJ-UHFFFAOYSA-N
MW346.48 g/mol
LogP4.56
Rot. Bonds7

About 2-N,4-N-dibenzyl-1-N,4-N-dimethylbenzene-1,2,4,5-tetramine

2-N,4-N-dibenzyl-1-N,4-N-dimethylbenzene-1,2,4,5-tetramine (PubChem CID 23135705) has the molecular formula C22H26N4 and a molecular weight of 346.48 g/mol. Its IUPAC name is 2-N,4-N-dibenzyl-1-N,4-N-dimethylbenzene-1,2,4,5-tetramine.

Molecular Properties

Compound Name2-N,4-N-dibenzyl-1-N,4-N-dimethylbenzene-1,2,4,5-tetramine
PubChem CID23135705
Molecular FormulaC22H26N4
Molecular Weight346.48 g/mol
Exact Mass346.22
IUPAC Name2-N,4-N-dibenzyl-1-N,4-N-dimethylbenzene-1,2,4,5-tetramine
SMILESCNc1cc(N)c(N(C)Cc2ccccc2)cc1NCc1ccccc1
InChIInChI=1S/C22H26N4/c1-24-20-13-19(23)22(26(2)16-18-11-7-4-8-12-18)14-21(20)25-15-17-9-5-3-6-10-17/h3-14,24-25H,15-16,23H2,1-2H3
InChIKeyPUGAEVDMZLFOGJ-UHFFFAOYSA-N
XLogP4.56
TPSA53.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.48
LogP ≤ 54.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-N,4-N-dibenzyl-1-N,4-N-dimethylbenzene-1,2,4,5-tetramine?
The IUPAC name of 2-N,4-N-dibenzyl-1-N,4-N-dimethylbenzene-1,2,4,5-tetramine (CID 23135705) is 2-N,4-N-dibenzyl-1-N,4-N-dimethylbenzene-1,2,4,5-tetramine.
What is the SMILES notation for 2-N,4-N-dibenzyl-1-N,4-N-dimethylbenzene-1,2,4,5-tetramine?
The canonical SMILES for 2-N,4-N-dibenzyl-1-N,4-N-dimethylbenzene-1,2,4,5-tetramine is CNc1cc(N)c(N(C)Cc2ccccc2)cc1NCc1ccccc1.
What is the InChIKey of 2-N,4-N-dibenzyl-1-N,4-N-dimethylbenzene-1,2,4,5-tetramine?
The InChIKey is PUGAEVDMZLFOGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4/c1-24-20-13-19(23)22(26(2)16-18-11-7-4-8-12-18)14-21(20)25-15-17-9-5-3-6-10-17/h3-14,24-25H,15-16,23H2,1-2H3.
What are the key properties of 2-N,4-N-dibenzyl-1-N,4-N-dimethylbenzene-1,2,4,5-tetramine?
2-N,4-N-dibenzyl-1-N,4-N-dimethylbenzene-1,2,4,5-tetramine has a molecular weight of 346.48 g/mol, XLogP of 4.56, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4-N-dibenzyl-1-N,4-N-dimethylbenzene-1,2,4,5-tetramine is sourced from PubChem (CID 23135705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).