6-N-(4-aminobutyl)-4-N-benzyl-2-N-naphthalen-1-yl-1,3,5-triazine-2,4,6-triamine;6-N-(3-aminopropyl)-4-N-benzyl-2-N-naphthalen-1-yl-1,3,5-triazine-2,4,6-triamine

C47H52N14 — CID 161096676

IUPAC6-N-(4-aminobutyl)-4-N-benzyl-2-N-naphthalen-1-yl-1,3,5-triazine-2,4,6-triamine;6-N-(3-aminopropyl)-4-N-benzyl-2-N-naphthalen-1-yl-1,3,5-triazine-2,4,6-triamine
SMILESNCCCCNc1nc(NCc2ccccc2)nc(Nc2cccc3ccccc23)n1.NCCCNc1nc(NCc2ccccc2)nc(Nc2cccc3ccccc23)n1
InChIInChI=1S/C24H27N7.C23H25N7/c25-15-6-7-16-26-22-29-23(27-17-18-9-2-1-3-10-18)31-24(30-22)28-21-14-8-12-19-11-4-5-13-20(19)21;24-14-7-15-25-21-28-22(26-16-17-8-2-1-3-9-17)30-23(29-21)27-20-13-6-11-18-10-4-5-12-19(18)20/h1-5,8-14H,6-7,15-17,25H2,(H3,26,27,28,29,30,31);1-6,8-13H,7,14-16,24H2,(H3,25,26,27,28,29,30)
InChIKeyUHWSUDWNDLSAOL-UHFFFAOYSA-N
MW813.03 g/mol
LogP8.67
Rot. Bonds19

About 6-N-(4-aminobutyl)-4-N-benzyl-2-N-naphthalen-1-yl-1,3,5-triazine-2,4,6-triamine;6-N-(3-aminopropyl)-4-N-benzyl-2-N-naphthalen-1-yl-1,3,5-triazine-2,4,6-triamine

6-N-(4-aminobutyl)-4-N-benzyl-2-N-naphthalen-1-yl-1,3,5-triazine-2,4,6-triamine;6-N-(3-aminopropyl)-4-N-benzyl-2-N-naphthalen-1-yl-1,3,5-triazine-2,4,6-triamine (PubChem CID 161096676) has the molecular formula C47H52N14 and a molecular weight of 813.03 g/mol. Its IUPAC name is 6-N-(4-aminobutyl)-4-N-benzyl-2-N-naphthalen-1-yl-1,3,5-triazine-2,4,6-triamine;6-N-(3-aminopropyl)-4-N-benzyl-2-N-naphthalen-1-yl-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name6-N-(4-aminobutyl)-4-N-benzyl-2-N-naphthalen-1-yl-1,3,5-triazine-2,4,6-triamine;6-N-(3-aminopropyl)-4-N-benzyl-2-N-naphthalen-1-yl-1,3,5-triazine-2,4,6-triamine
PubChem CID161096676
Molecular FormulaC47H52N14
Molecular Weight813.03 g/mol
Exact Mass812.45
IUPAC Name6-N-(4-aminobutyl)-4-N-benzyl-2-N-naphthalen-1-yl-1,3,5-triazine-2,4,6-triamine;6-N-(3-aminopropyl)-4-N-benzyl-2-N-naphthalen-1-yl-1,3,5-triazine-2,4,6-triamine
SMILESNCCCCNc1nc(NCc2ccccc2)nc(Nc2cccc3ccccc23)n1.NCCCNc1nc(NCc2ccccc2)nc(Nc2cccc3ccccc23)n1
InChIInChI=1S/C24H27N7.C23H25N7/c25-15-6-7-16-26-22-29-23(27-17-18-9-2-1-3-10-18)31-24(30-22)28-21-14-8-12-19-11-4-5-13-20(19)21;24-14-7-15-25-21-28-22(26-16-17-8-2-1-3-9-17)30-23(29-21)27-20-13-6-11-18-10-4-5-12-19(18)20/h1-5,8-14H,6-7,15-17,25H2,(H3,26,27,28,29,30,31);1-6,8-13H,7,14-16,24H2,(H3,25,26,27,28,29,30)
InChIKeyUHWSUDWNDLSAOL-UHFFFAOYSA-N
XLogP8.67
TPSA201.56 Ų
H-Bond Donors8
H-Bond Acceptors14
Rotatable Bonds19
Heavy Atoms61
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 500813.03
LogP ≤ 58.67
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

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

Analyze 6-N-(4-aminobutyl)-4-N-benzyl-2-N-naphthalen-1-yl-1,3,5-triazine-2,4,6-triamine;6-N-(3-aminopropyl)-4-N-benzyl-2-N-naphthalen-1-yl-1,3,5-triazine-2,4,6-triamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-N-(4-aminobutyl)-4-N-benzyl-2-N-naphthalen-1-yl-1,3,5-triazine-2,4,6-triamine;6-N-(3-aminopropyl)-4-N-benzyl-2-N-naphthalen-1-yl-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 6-N-(4-aminobutyl)-4-N-benzyl-2-N-naphthalen-1-yl-1,3,5-triazine-2,4,6-triamine;6-N-(3-aminopropyl)-4-N-benzyl-2-N-naphthalen-1-yl-1,3,5-triazine-2,4,6-triamine (CID 161096676) is 6-N-(4-aminobutyl)-4-N-benzyl-2-N-naphthalen-1-yl-1,3,5-triazine-2,4,6-triamine;6-N-(3-aminopropyl)-4-N-benzyl-2-N-naphthalen-1-yl-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 6-N-(4-aminobutyl)-4-N-benzyl-2-N-naphthalen-1-yl-1,3,5-triazine-2,4,6-triamine;6-N-(3-aminopropyl)-4-N-benzyl-2-N-naphthalen-1-yl-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 6-N-(4-aminobutyl)-4-N-benzyl-2-N-naphthalen-1-yl-1,3,5-triazine-2,4,6-triamine;6-N-(3-aminopropyl)-4-N-benzyl-2-N-naphthalen-1-yl-1,3,5-triazine-2,4,6-triamine is NCCCCNc1nc(NCc2ccccc2)nc(Nc2cccc3ccccc23)n1.NCCCNc1nc(NCc2ccccc2)nc(Nc2cccc3ccccc23)n1.
What is the InChIKey of 6-N-(4-aminobutyl)-4-N-benzyl-2-N-naphthalen-1-yl-1,3,5-triazine-2,4,6-triamine;6-N-(3-aminopropyl)-4-N-benzyl-2-N-naphthalen-1-yl-1,3,5-triazine-2,4,6-triamine?
The InChIKey is UHWSUDWNDLSAOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N7.C23H25N7/c25-15-6-7-16-26-22-29-23(27-17-18-9-2-1-3-10-18)31-24(30-22)28-21-14-8-12-19-11-4-5-13-20(19)21;24-14-7-15-25-21-28-22(26-16-17-8-2-1-3-9-17)30-23(29-21)27-20-13-6-11-18-10-4-5-12-19(18)20/h1-5,8-14H,6-7,15-17,25H2,(H3,26,27,28,29,30,31);1-6,8-13H,7,14-16,24H2,(H3,25,26,27,28,29,30).
What are the key properties of 6-N-(4-aminobutyl)-4-N-benzyl-2-N-naphthalen-1-yl-1,3,5-triazine-2,4,6-triamine;6-N-(3-aminopropyl)-4-N-benzyl-2-N-naphthalen-1-yl-1,3,5-triazine-2,4,6-triamine?
6-N-(4-aminobutyl)-4-N-benzyl-2-N-naphthalen-1-yl-1,3,5-triazine-2,4,6-triamine;6-N-(3-aminopropyl)-4-N-benzyl-2-N-naphthalen-1-yl-1,3,5-triazine-2,4,6-triamine has a molecular weight of 813.03 g/mol, XLogP of 8.67, 19 rotatable bonds, 8 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(4-aminobutyl)-4-N-benzyl-2-N-naphthalen-1-yl-1,3,5-triazine-2,4,6-triamine;6-N-(3-aminopropyl)-4-N-benzyl-2-N-naphthalen-1-yl-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 161096676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).