N-ethenyl-N-(4-phenylbutyl)-1,3,5-triazin-2-amine

C15H18N4 — CID 175079285

IUPACN-ethenyl-N-(4-phenylbutyl)-1,3,5-triazin-2-amine
SMILESC=CN(CCCCc1ccccc1)c1ncncn1
InChIInChI=1S/C15H18N4/c1-2-19(15-17-12-16-13-18-15)11-7-6-10-14-8-4-3-5-9-14/h2-5,8-9,12-13H,1,6-7,10-11H2
InChIKeyAGHLKLZXFGCGIH-UHFFFAOYSA-N
MW254.34 g/mol
LogP2.84
Rot. Bonds7

About N-ethenyl-N-(4-phenylbutyl)-1,3,5-triazin-2-amine

N-ethenyl-N-(4-phenylbutyl)-1,3,5-triazin-2-amine (PubChem CID 175079285) has the molecular formula C15H18N4 and a molecular weight of 254.34 g/mol. Its IUPAC name is N-ethenyl-N-(4-phenylbutyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-ethenyl-N-(4-phenylbutyl)-1,3,5-triazin-2-amine
PubChem CID175079285
Molecular FormulaC15H18N4
Molecular Weight254.34 g/mol
Exact Mass254.15
IUPAC NameN-ethenyl-N-(4-phenylbutyl)-1,3,5-triazin-2-amine
SMILESC=CN(CCCCc1ccccc1)c1ncncn1
InChIInChI=1S/C15H18N4/c1-2-19(15-17-12-16-13-18-15)11-7-6-10-14-8-4-3-5-9-14/h2-5,8-9,12-13H,1,6-7,10-11H2
InChIKeyAGHLKLZXFGCGIH-UHFFFAOYSA-N
XLogP2.84
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.34
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 N-ethenyl-N-(4-phenylbutyl)-1,3,5-triazin-2-amine?
The IUPAC name of N-ethenyl-N-(4-phenylbutyl)-1,3,5-triazin-2-amine (CID 175079285) is N-ethenyl-N-(4-phenylbutyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for N-ethenyl-N-(4-phenylbutyl)-1,3,5-triazin-2-amine?
The canonical SMILES for N-ethenyl-N-(4-phenylbutyl)-1,3,5-triazin-2-amine is C=CN(CCCCc1ccccc1)c1ncncn1.
What is the InChIKey of N-ethenyl-N-(4-phenylbutyl)-1,3,5-triazin-2-amine?
The InChIKey is AGHLKLZXFGCGIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4/c1-2-19(15-17-12-16-13-18-15)11-7-6-10-14-8-4-3-5-9-14/h2-5,8-9,12-13H,1,6-7,10-11H2.
What are the key properties of N-ethenyl-N-(4-phenylbutyl)-1,3,5-triazin-2-amine?
N-ethenyl-N-(4-phenylbutyl)-1,3,5-triazin-2-amine has a molecular weight of 254.34 g/mol, XLogP of 2.84, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethenyl-N-(4-phenylbutyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 175079285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).