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

C16H26ClN5 — CID 44531615

IUPAC6,6-dimethyl-1-(4-pentylphenyl)-1,3,5-triazine-2,4-diamine;hydrochloride
SMILESCCCCCc1ccc(N2C(N)=NC(N)=NC2(C)C)cc1.Cl
InChIInChI=1S/C16H25N5.ClH/c1-4-5-6-7-12-8-10-13(11-9-12)21-15(18)19-14(17)20-16(21,2)3;/h8-11H,4-7H2,1-3H3,(H4,17,18,19,20);1H
InChIKeyIDLJXXSMHZEEIC-UHFFFAOYSA-N
MW323.87 g/mol
LogP3.03
Rot. Bonds5

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

6,6-dimethyl-1-(4-pentylphenyl)-1,3,5-triazine-2,4-diamine;hydrochloride (PubChem CID 44531615) has the molecular formula C16H26ClN5 and a molecular weight of 323.87 g/mol. Its IUPAC name is 6,6-dimethyl-1-(4-pentylphenyl)-1,3,5-triazine-2,4-diamine;hydrochloride.

Molecular Properties

Compound Name6,6-dimethyl-1-(4-pentylphenyl)-1,3,5-triazine-2,4-diamine;hydrochloride
PubChem CID44531615
Molecular FormulaC16H26ClN5
Molecular Weight323.87 g/mol
Exact Mass323.19
IUPAC Name6,6-dimethyl-1-(4-pentylphenyl)-1,3,5-triazine-2,4-diamine;hydrochloride
SMILESCCCCCc1ccc(N2C(N)=NC(N)=NC2(C)C)cc1.Cl
InChIInChI=1S/C16H25N5.ClH/c1-4-5-6-7-12-8-10-13(11-9-12)21-15(18)19-14(17)20-16(21,2)3;/h8-11H,4-7H2,1-3H3,(H4,17,18,19,20);1H
InChIKeyIDLJXXSMHZEEIC-UHFFFAOYSA-N
XLogP3.03
TPSA80.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.87
LogP ≤ 53.03
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-pentylphenyl)-1,3,5-triazine-2,4-diamine;hydrochloride?
The IUPAC name of 6,6-dimethyl-1-(4-pentylphenyl)-1,3,5-triazine-2,4-diamine;hydrochloride (CID 44531615) is 6,6-dimethyl-1-(4-pentylphenyl)-1,3,5-triazine-2,4-diamine;hydrochloride.
What is the SMILES notation for 6,6-dimethyl-1-(4-pentylphenyl)-1,3,5-triazine-2,4-diamine;hydrochloride?
The canonical SMILES for 6,6-dimethyl-1-(4-pentylphenyl)-1,3,5-triazine-2,4-diamine;hydrochloride is CCCCCc1ccc(N2C(N)=NC(N)=NC2(C)C)cc1.Cl.
What is the InChIKey of 6,6-dimethyl-1-(4-pentylphenyl)-1,3,5-triazine-2,4-diamine;hydrochloride?
The InChIKey is IDLJXXSMHZEEIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5.ClH/c1-4-5-6-7-12-8-10-13(11-9-12)21-15(18)19-14(17)20-16(21,2)3;/h8-11H,4-7H2,1-3H3,(H4,17,18,19,20);1H.
What are the key properties of 6,6-dimethyl-1-(4-pentylphenyl)-1,3,5-triazine-2,4-diamine;hydrochloride?
6,6-dimethyl-1-(4-pentylphenyl)-1,3,5-triazine-2,4-diamine;hydrochloride has a molecular weight of 323.87 g/mol, XLogP of 3.03, 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-pentylphenyl)-1,3,5-triazine-2,4-diamine;hydrochloride is sourced from PubChem (CID 44531615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).