4-N,6-N-bis(4-aminophenyl)-2-N,2-N-dipropyl-1,3,5-triazine-2,4,6-triamine

C21H28N8 — CID 153324586

IUPAC4-N,6-N-bis(4-aminophenyl)-2-N,2-N-dipropyl-1,3,5-triazine-2,4,6-triamine
SMILESCCCN(CCC)c1nc(Nc2ccc(N)cc2)nc(Nc2ccc(N)cc2)n1
InChIInChI=1S/C21H28N8/c1-3-13-29(14-4-2)21-27-19(24-17-9-5-15(22)6-10-17)26-20(28-21)25-18-11-7-16(23)8-12-18/h5-12H,3-4,13-14,22-23H2,1-2H3,(H2,24,25,26,27,28)
InChIKeyIVCIOAAWLVVTOE-UHFFFAOYSA-N
MW392.51 g/mol
LogP4.15
Rot. Bonds9

About 4-N,6-N-bis(4-aminophenyl)-2-N,2-N-dipropyl-1,3,5-triazine-2,4,6-triamine

4-N,6-N-bis(4-aminophenyl)-2-N,2-N-dipropyl-1,3,5-triazine-2,4,6-triamine (PubChem CID 153324586) has the molecular formula C21H28N8 and a molecular weight of 392.51 g/mol. Its IUPAC name is 4-N,6-N-bis(4-aminophenyl)-2-N,2-N-dipropyl-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name4-N,6-N-bis(4-aminophenyl)-2-N,2-N-dipropyl-1,3,5-triazine-2,4,6-triamine
PubChem CID153324586
Molecular FormulaC21H28N8
Molecular Weight392.51 g/mol
Exact Mass392.24
IUPAC Name4-N,6-N-bis(4-aminophenyl)-2-N,2-N-dipropyl-1,3,5-triazine-2,4,6-triamine
SMILESCCCN(CCC)c1nc(Nc2ccc(N)cc2)nc(Nc2ccc(N)cc2)n1
InChIInChI=1S/C21H28N8/c1-3-13-29(14-4-2)21-27-19(24-17-9-5-15(22)6-10-17)26-20(28-21)25-18-11-7-16(23)8-12-18/h5-12H,3-4,13-14,22-23H2,1-2H3,(H2,24,25,26,27,28)
InChIKeyIVCIOAAWLVVTOE-UHFFFAOYSA-N
XLogP4.15
TPSA118.01 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.51
LogP ≤ 54.15
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-N,6-N-bis(4-aminophenyl)-2-N,2-N-dipropyl-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 4-N,6-N-bis(4-aminophenyl)-2-N,2-N-dipropyl-1,3,5-triazine-2,4,6-triamine (CID 153324586) is 4-N,6-N-bis(4-aminophenyl)-2-N,2-N-dipropyl-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 4-N,6-N-bis(4-aminophenyl)-2-N,2-N-dipropyl-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 4-N,6-N-bis(4-aminophenyl)-2-N,2-N-dipropyl-1,3,5-triazine-2,4,6-triamine is CCCN(CCC)c1nc(Nc2ccc(N)cc2)nc(Nc2ccc(N)cc2)n1.
What is the InChIKey of 4-N,6-N-bis(4-aminophenyl)-2-N,2-N-dipropyl-1,3,5-triazine-2,4,6-triamine?
The InChIKey is IVCIOAAWLVVTOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N8/c1-3-13-29(14-4-2)21-27-19(24-17-9-5-15(22)6-10-17)26-20(28-21)25-18-11-7-16(23)8-12-18/h5-12H,3-4,13-14,22-23H2,1-2H3,(H2,24,25,26,27,28).
What are the key properties of 4-N,6-N-bis(4-aminophenyl)-2-N,2-N-dipropyl-1,3,5-triazine-2,4,6-triamine?
4-N,6-N-bis(4-aminophenyl)-2-N,2-N-dipropyl-1,3,5-triazine-2,4,6-triamine has a molecular weight of 392.51 g/mol, XLogP of 4.15, 9 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,6-N-bis(4-aminophenyl)-2-N,2-N-dipropyl-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 153324586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).