2-N-(10-butoxydecyl)-1,3,5-triazine-2,4,6-triamine

C17H34N6O — CID 151651580

IUPAC2-N-(10-butoxydecyl)-1,3,5-triazine-2,4,6-triamine
SMILESCCCCOCCCCCCCCCCNc1nc(N)nc(N)n1
InChIInChI=1S/C17H34N6O/c1-2-3-13-24-14-11-9-7-5-4-6-8-10-12-20-17-22-15(18)21-16(19)23-17/h2-14H2,1H3,(H5,18,19,20,21,22,23)
InChIKeyQUPUSVZFYDSOGD-UHFFFAOYSA-N
MW338.50 g/mol
LogP3.39
Rot. Bonds15

About 2-N-(10-butoxydecyl)-1,3,5-triazine-2,4,6-triamine

2-N-(10-butoxydecyl)-1,3,5-triazine-2,4,6-triamine (PubChem CID 151651580) has the molecular formula C17H34N6O and a molecular weight of 338.50 g/mol. Its IUPAC name is 2-N-(10-butoxydecyl)-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name2-N-(10-butoxydecyl)-1,3,5-triazine-2,4,6-triamine
PubChem CID151651580
Molecular FormulaC17H34N6O
Molecular Weight338.50 g/mol
Exact Mass338.28
IUPAC Name2-N-(10-butoxydecyl)-1,3,5-triazine-2,4,6-triamine
SMILESCCCCOCCCCCCCCCCNc1nc(N)nc(N)n1
InChIInChI=1S/C17H34N6O/c1-2-3-13-24-14-11-9-7-5-4-6-8-10-12-20-17-22-15(18)21-16(19)23-17/h2-14H2,1H3,(H5,18,19,20,21,22,23)
InChIKeyQUPUSVZFYDSOGD-UHFFFAOYSA-N
XLogP3.39
TPSA111.97 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds15
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.50
LogP ≤ 53.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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 2-N-(10-butoxydecyl)-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 2-N-(10-butoxydecyl)-1,3,5-triazine-2,4,6-triamine (CID 151651580) is 2-N-(10-butoxydecyl)-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 2-N-(10-butoxydecyl)-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 2-N-(10-butoxydecyl)-1,3,5-triazine-2,4,6-triamine is CCCCOCCCCCCCCCCNc1nc(N)nc(N)n1.
What is the InChIKey of 2-N-(10-butoxydecyl)-1,3,5-triazine-2,4,6-triamine?
The InChIKey is QUPUSVZFYDSOGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N6O/c1-2-3-13-24-14-11-9-7-5-4-6-8-10-12-20-17-22-15(18)21-16(19)23-17/h2-14H2,1H3,(H5,18,19,20,21,22,23).
What are the key properties of 2-N-(10-butoxydecyl)-1,3,5-triazine-2,4,6-triamine?
2-N-(10-butoxydecyl)-1,3,5-triazine-2,4,6-triamine has a molecular weight of 338.50 g/mol, XLogP of 3.39, 15 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(10-butoxydecyl)-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 151651580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).