4-N,4-N,6-N,6-N-tetrabutyl-2-N,2-N-dipentyl-1,3,5-triazine-2,4,6-triamine

C29H58N6 — CID 138705223

IUPAC4-N,4-N,6-N,6-N-tetrabutyl-2-N,2-N-dipentyl-1,3,5-triazine-2,4,6-triamine
SMILESCCCCCN(CCCCC)c1nc(N(CCCC)CCCC)nc(N(CCCC)CCCC)n1
InChIInChI=1S/C29H58N6/c1-7-13-19-25-35(26-20-14-8-2)29-31-27(33(21-15-9-3)22-16-10-4)30-28(32-29)34(23-17-11-5)24-18-12-6/h7-26H2,1-6H3
InChIKeyBIDRFAMSRWPAFG-UHFFFAOYSA-N
MW490.83 g/mol
LogP7.87
Rot. Bonds23

About 4-N,4-N,6-N,6-N-tetrabutyl-2-N,2-N-dipentyl-1,3,5-triazine-2,4,6-triamine

4-N,4-N,6-N,6-N-tetrabutyl-2-N,2-N-dipentyl-1,3,5-triazine-2,4,6-triamine (PubChem CID 138705223) has the molecular formula C29H58N6 and a molecular weight of 490.83 g/mol. Its IUPAC name is 4-N,4-N,6-N,6-N-tetrabutyl-2-N,2-N-dipentyl-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name4-N,4-N,6-N,6-N-tetrabutyl-2-N,2-N-dipentyl-1,3,5-triazine-2,4,6-triamine
PubChem CID138705223
Molecular FormulaC29H58N6
Molecular Weight490.83 g/mol
Exact Mass490.47
IUPAC Name4-N,4-N,6-N,6-N-tetrabutyl-2-N,2-N-dipentyl-1,3,5-triazine-2,4,6-triamine
SMILESCCCCCN(CCCCC)c1nc(N(CCCC)CCCC)nc(N(CCCC)CCCC)n1
InChIInChI=1S/C29H58N6/c1-7-13-19-25-35(26-20-14-8-2)29-31-27(33(21-15-9-3)22-16-10-4)30-28(32-29)34(23-17-11-5)24-18-12-6/h7-26H2,1-6H3
InChIKeyBIDRFAMSRWPAFG-UHFFFAOYSA-N
XLogP7.87
TPSA48.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds23
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.83
LogP ≤ 57.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-N,4-N,6-N,6-N-tetrabutyl-2-N,2-N-dipentyl-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 4-N,4-N,6-N,6-N-tetrabutyl-2-N,2-N-dipentyl-1,3,5-triazine-2,4,6-triamine (CID 138705223) is 4-N,4-N,6-N,6-N-tetrabutyl-2-N,2-N-dipentyl-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 4-N,4-N,6-N,6-N-tetrabutyl-2-N,2-N-dipentyl-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 4-N,4-N,6-N,6-N-tetrabutyl-2-N,2-N-dipentyl-1,3,5-triazine-2,4,6-triamine is CCCCCN(CCCCC)c1nc(N(CCCC)CCCC)nc(N(CCCC)CCCC)n1.
What is the InChIKey of 4-N,4-N,6-N,6-N-tetrabutyl-2-N,2-N-dipentyl-1,3,5-triazine-2,4,6-triamine?
The InChIKey is BIDRFAMSRWPAFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H58N6/c1-7-13-19-25-35(26-20-14-8-2)29-31-27(33(21-15-9-3)22-16-10-4)30-28(32-29)34(23-17-11-5)24-18-12-6/h7-26H2,1-6H3.
What are the key properties of 4-N,4-N,6-N,6-N-tetrabutyl-2-N,2-N-dipentyl-1,3,5-triazine-2,4,6-triamine?
4-N,4-N,6-N,6-N-tetrabutyl-2-N,2-N-dipentyl-1,3,5-triazine-2,4,6-triamine has a molecular weight of 490.83 g/mol, XLogP of 7.87, 23 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,4-N,6-N,6-N-tetrabutyl-2-N,2-N-dipentyl-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 138705223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).