6,6-dimethyl-1-(4-phenylbutyl)-1,3,5-triazine-2,4-diamine;hydrochloride

C15H24ClN5 — CID 5351906

IUPAC6,6-dimethyl-1-(4-phenylbutyl)-1,3,5-triazine-2,4-diamine;hydrochloride
SMILESCC1(C)N=C(N)N=C(N)N1CCCCc1ccccc1.Cl
InChIInChI=1S/C15H23N5.ClH/c1-15(2)19-13(16)18-14(17)20(15)11-7-6-10-12-8-4-3-5-9-12;/h3-5,8-9H,6-7,10-11H2,1-2H3,(H4,16,17,18,19);1H
InChIKeyFGTPCWJUDVKRLB-UHFFFAOYSA-N
MW309.84 g/mol
LogP2.11
Rot. Bonds5

About 6,6-dimethyl-1-(4-phenylbutyl)-1,3,5-triazine-2,4-diamine;hydrochloride

6,6-dimethyl-1-(4-phenylbutyl)-1,3,5-triazine-2,4-diamine;hydrochloride (PubChem CID 5351906) has the molecular formula C15H24ClN5 and a molecular weight of 309.84 g/mol. Its IUPAC name is 6,6-dimethyl-1-(4-phenylbutyl)-1,3,5-triazine-2,4-diamine;hydrochloride.

Molecular Properties

Compound Name6,6-dimethyl-1-(4-phenylbutyl)-1,3,5-triazine-2,4-diamine;hydrochloride
PubChem CID5351906
Molecular FormulaC15H24ClN5
Molecular Weight309.84 g/mol
Exact Mass309.17
IUPAC Name6,6-dimethyl-1-(4-phenylbutyl)-1,3,5-triazine-2,4-diamine;hydrochloride
SMILESCC1(C)N=C(N)N=C(N)N1CCCCc1ccccc1.Cl
InChIInChI=1S/C15H23N5.ClH/c1-15(2)19-13(16)18-14(17)20(15)11-7-6-10-12-8-4-3-5-9-12;/h3-5,8-9H,6-7,10-11H2,1-2H3,(H4,16,17,18,19);1H
InChIKeyFGTPCWJUDVKRLB-UHFFFAOYSA-N
XLogP2.11
TPSA80.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.84
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 6,6-dimethyl-1-(4-phenylbutyl)-1,3,5-triazine-2,4-diamine;hydrochloride?
The IUPAC name of 6,6-dimethyl-1-(4-phenylbutyl)-1,3,5-triazine-2,4-diamine;hydrochloride (CID 5351906) is 6,6-dimethyl-1-(4-phenylbutyl)-1,3,5-triazine-2,4-diamine;hydrochloride.
What is the SMILES notation for 6,6-dimethyl-1-(4-phenylbutyl)-1,3,5-triazine-2,4-diamine;hydrochloride?
The canonical SMILES for 6,6-dimethyl-1-(4-phenylbutyl)-1,3,5-triazine-2,4-diamine;hydrochloride is CC1(C)N=C(N)N=C(N)N1CCCCc1ccccc1.Cl.
What is the InChIKey of 6,6-dimethyl-1-(4-phenylbutyl)-1,3,5-triazine-2,4-diamine;hydrochloride?
The InChIKey is FGTPCWJUDVKRLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5.ClH/c1-15(2)19-13(16)18-14(17)20(15)11-7-6-10-12-8-4-3-5-9-12;/h3-5,8-9H,6-7,10-11H2,1-2H3,(H4,16,17,18,19);1H.
What are the key properties of 6,6-dimethyl-1-(4-phenylbutyl)-1,3,5-triazine-2,4-diamine;hydrochloride?
6,6-dimethyl-1-(4-phenylbutyl)-1,3,5-triazine-2,4-diamine;hydrochloride has a molecular weight of 309.84 g/mol, XLogP of 2.11, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6-dimethyl-1-(4-phenylbutyl)-1,3,5-triazine-2,4-diamine;hydrochloride is sourced from PubChem (CID 5351906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).