6-N-(3-aminopropyl)-4-N-(2-ethylhexyl)-2-N,2-N-dioctyl-1,3,5-triazine-2,4,6-triamine

C30H61N7 — CID 155679051

IUPAC6-N-(3-aminopropyl)-4-N-(2-ethylhexyl)-2-N,2-N-dioctyl-1,3,5-triazine-2,4,6-triamine
SMILESCCCCCCCCN(CCCCCCCC)c1nc(NCCCN)nc(NCC(CC)CCCC)n1
InChIInChI=1S/C30H61N7/c1-5-9-12-14-16-18-24-37(25-19-17-15-13-10-6-2)30-35-28(32-23-20-22-31)34-29(36-30)33-26-27(8-4)21-11-7-3/h27H,5-26,31H2,1-4H3,(H2,32,33,34,35,36)
InChIKeyQKWWEIVTCCPXEL-UHFFFAOYSA-N
MW519.87 g/mol
LogP7.79
Rot. Bonds26

About 6-N-(3-aminopropyl)-4-N-(2-ethylhexyl)-2-N,2-N-dioctyl-1,3,5-triazine-2,4,6-triamine

6-N-(3-aminopropyl)-4-N-(2-ethylhexyl)-2-N,2-N-dioctyl-1,3,5-triazine-2,4,6-triamine (PubChem CID 155679051) has the molecular formula C30H61N7 and a molecular weight of 519.87 g/mol. Its IUPAC name is 6-N-(3-aminopropyl)-4-N-(2-ethylhexyl)-2-N,2-N-dioctyl-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name6-N-(3-aminopropyl)-4-N-(2-ethylhexyl)-2-N,2-N-dioctyl-1,3,5-triazine-2,4,6-triamine
PubChem CID155679051
Molecular FormulaC30H61N7
Molecular Weight519.87 g/mol
Exact Mass519.50
IUPAC Name6-N-(3-aminopropyl)-4-N-(2-ethylhexyl)-2-N,2-N-dioctyl-1,3,5-triazine-2,4,6-triamine
SMILESCCCCCCCCN(CCCCCCCC)c1nc(NCCCN)nc(NCC(CC)CCCC)n1
InChIInChI=1S/C30H61N7/c1-5-9-12-14-16-18-24-37(25-19-17-15-13-10-6-2)30-35-28(32-23-20-22-31)34-29(36-30)33-26-27(8-4)21-11-7-3/h27H,5-26,31H2,1-4H3,(H2,32,33,34,35,36)
InChIKeyQKWWEIVTCCPXEL-UHFFFAOYSA-N
XLogP7.79
TPSA91.99 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds26
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500519.87
LogP ≤ 57.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 6-N-(3-aminopropyl)-4-N-(2-ethylhexyl)-2-N,2-N-dioctyl-1,3,5-triazine-2,4,6-triamine with MolForge

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Related Compounds

N,N-dibutyl-4,6-dihydrazinyl-1,3,5-triazin-2-amine
CID 101056119
2-N,4-N-bis(2-aminoethyl)-6-N-butyl-1,3,5-triazine-2,4,6-triamine
CID 118119736
6-bromo-2-N-(2-ethylhexyl)pyrimidine-2,4-diamine
CID 114004473
N'-[3-(2-ethylhexylamino)propyl]propane-1,3-diamine
CID 59929730
2-N-(2-ethylhexyl)-4-N-[3-[N-methyl-4-[(4-nitrosophenyl)diazenyl]anilino]propyl]-1,3,5-triazine-2,4,6-triamine
CID 89027758
2-N,4-N,6-N-tris[3-(2-octyldodecoxy)propyl]-1,3,5-triazine-2,4,6-triamine
CID 58841536
2-N,4-N-didecyl-1,3,5-triazine-2,4,6-triamine
CID 68586329
N-(2-ethylhexyl)-5-methylpyrimidin-2-amine
CID 107816474
2-N,4-N,6-N-tris[3-[4-[4-[4-(2-octyldodecoxy)butoxy]butoxy]butoxy]propyl]-1,3,5-triazine-2,4,6-triamine
CID 58841555
5-N-(2-ethylhexyl)-1,2,4-thiadiazole-3,5-diamine
CID 107818817
(3R)-3-ethylnonan-1-amine
CID 163925868
N-butyl-2-ethylpentane-1,5-diamine
CID 174821174

Frequently Asked Questions

What is the IUPAC name of 6-N-(3-aminopropyl)-4-N-(2-ethylhexyl)-2-N,2-N-dioctyl-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 6-N-(3-aminopropyl)-4-N-(2-ethylhexyl)-2-N,2-N-dioctyl-1,3,5-triazine-2,4,6-triamine (CID 155679051) is 6-N-(3-aminopropyl)-4-N-(2-ethylhexyl)-2-N,2-N-dioctyl-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 6-N-(3-aminopropyl)-4-N-(2-ethylhexyl)-2-N,2-N-dioctyl-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 6-N-(3-aminopropyl)-4-N-(2-ethylhexyl)-2-N,2-N-dioctyl-1,3,5-triazine-2,4,6-triamine is CCCCCCCCN(CCCCCCCC)c1nc(NCCCN)nc(NCC(CC)CCCC)n1.
What is the InChIKey of 6-N-(3-aminopropyl)-4-N-(2-ethylhexyl)-2-N,2-N-dioctyl-1,3,5-triazine-2,4,6-triamine?
The InChIKey is QKWWEIVTCCPXEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H61N7/c1-5-9-12-14-16-18-24-37(25-19-17-15-13-10-6-2)30-35-28(32-23-20-22-31)34-29(36-30)33-26-27(8-4)21-11-7-3/h27H,5-26,31H2,1-4H3,(H2,32,33,34,35,36).
What are the key properties of 6-N-(3-aminopropyl)-4-N-(2-ethylhexyl)-2-N,2-N-dioctyl-1,3,5-triazine-2,4,6-triamine?
6-N-(3-aminopropyl)-4-N-(2-ethylhexyl)-2-N,2-N-dioctyl-1,3,5-triazine-2,4,6-triamine has a molecular weight of 519.87 g/mol, XLogP of 7.79, 26 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(3-aminopropyl)-4-N-(2-ethylhexyl)-2-N,2-N-dioctyl-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 155679051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).