2-N,2-N-dibutyl-4-N,6-N-bis(hex-5-enyl)-1,3,5-triazine-2,4,6-triamine

C23H42N6 — CID 101229508

IUPAC2-N,2-N-dibutyl-4-N,6-N-bis(hex-5-enyl)-1,3,5-triazine-2,4,6-triamine
SMILESC=CCCCCNc1nc(NCCCCC=C)nc(N(CCCC)CCCC)n1
InChIInChI=1S/C23H42N6/c1-5-9-13-15-17-24-21-26-22(25-18-16-14-10-6-2)28-23(27-21)29(19-11-7-3)20-12-8-4/h5-6H,1-2,7-20H2,3-4H3,(H2,24,25,26,27,28)
InChIKeyOYSACTYIJGDVEF-UHFFFAOYSA-N
MW402.63 g/mol
LogP5.81
Rot. Bonds19

About 2-N,2-N-dibutyl-4-N,6-N-bis(hex-5-enyl)-1,3,5-triazine-2,4,6-triamine

2-N,2-N-dibutyl-4-N,6-N-bis(hex-5-enyl)-1,3,5-triazine-2,4,6-triamine (PubChem CID 101229508) has the molecular formula C23H42N6 and a molecular weight of 402.63 g/mol. Its IUPAC name is 2-N,2-N-dibutyl-4-N,6-N-bis(hex-5-enyl)-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name2-N,2-N-dibutyl-4-N,6-N-bis(hex-5-enyl)-1,3,5-triazine-2,4,6-triamine
PubChem CID101229508
Molecular FormulaC23H42N6
Molecular Weight402.63 g/mol
Exact Mass402.35
IUPAC Name2-N,2-N-dibutyl-4-N,6-N-bis(hex-5-enyl)-1,3,5-triazine-2,4,6-triamine
SMILESC=CCCCCNc1nc(NCCCCC=C)nc(N(CCCC)CCCC)n1
InChIInChI=1S/C23H42N6/c1-5-9-13-15-17-24-21-26-22(25-18-16-14-10-6-2)28-23(27-21)29(19-11-7-3)20-12-8-4/h5-6H,1-2,7-20H2,3-4H3,(H2,24,25,26,27,28)
InChIKeyOYSACTYIJGDVEF-UHFFFAOYSA-N
XLogP5.81
TPSA65.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds19
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.63
LogP ≤ 55.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-N,2-N-dibutyl-4-N,6-N-bis(hex-5-enyl)-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 2-N,2-N-dibutyl-4-N,6-N-bis(hex-5-enyl)-1,3,5-triazine-2,4,6-triamine (CID 101229508) is 2-N,2-N-dibutyl-4-N,6-N-bis(hex-5-enyl)-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 2-N,2-N-dibutyl-4-N,6-N-bis(hex-5-enyl)-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 2-N,2-N-dibutyl-4-N,6-N-bis(hex-5-enyl)-1,3,5-triazine-2,4,6-triamine is C=CCCCCNc1nc(NCCCCC=C)nc(N(CCCC)CCCC)n1.
What is the InChIKey of 2-N,2-N-dibutyl-4-N,6-N-bis(hex-5-enyl)-1,3,5-triazine-2,4,6-triamine?
The InChIKey is OYSACTYIJGDVEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H42N6/c1-5-9-13-15-17-24-21-26-22(25-18-16-14-10-6-2)28-23(27-21)29(19-11-7-3)20-12-8-4/h5-6H,1-2,7-20H2,3-4H3,(H2,24,25,26,27,28).
What are the key properties of 2-N,2-N-dibutyl-4-N,6-N-bis(hex-5-enyl)-1,3,5-triazine-2,4,6-triamine?
2-N,2-N-dibutyl-4-N,6-N-bis(hex-5-enyl)-1,3,5-triazine-2,4,6-triamine has a molecular weight of 402.63 g/mol, XLogP of 5.81, 19 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N-dibutyl-4-N,6-N-bis(hex-5-enyl)-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 101229508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).