1-(4-hexylphenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine

C17H27N5 — CID 10017760

IUPAC1-(4-hexylphenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine
SMILESCCCCCCc1ccc(N2C(N)=NC(N)=NC2(C)C)cc1
InChIInChI=1S/C17H27N5/c1-4-5-6-7-8-13-9-11-14(12-10-13)22-16(19)20-15(18)21-17(22,2)3/h9-12H,4-8H2,1-3H3,(H4,18,19,20,21)
InChIKeyJDXMTAGDZGXWJP-UHFFFAOYSA-N
MW301.44 g/mol
LogP2.99
Rot. Bonds6

About 1-(4-hexylphenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine

1-(4-hexylphenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine (PubChem CID 10017760) has the molecular formula C17H27N5 and a molecular weight of 301.44 g/mol. Its IUPAC name is 1-(4-hexylphenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name1-(4-hexylphenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine
PubChem CID10017760
Molecular FormulaC17H27N5
Molecular Weight301.44 g/mol
Exact Mass301.23
IUPAC Name1-(4-hexylphenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine
SMILESCCCCCCc1ccc(N2C(N)=NC(N)=NC2(C)C)cc1
InChIInChI=1S/C17H27N5/c1-4-5-6-7-8-13-9-11-14(12-10-13)22-16(19)20-15(18)21-17(22,2)3/h9-12H,4-8H2,1-3H3,(H4,18,19,20,21)
InChIKeyJDXMTAGDZGXWJP-UHFFFAOYSA-N
XLogP2.99
TPSA80.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.44
LogP ≤ 52.99
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 1-(4-hexylphenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 1-(4-hexylphenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine (CID 10017760) is 1-(4-hexylphenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 1-(4-hexylphenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 1-(4-hexylphenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine is CCCCCCc1ccc(N2C(N)=NC(N)=NC2(C)C)cc1.
What is the InChIKey of 1-(4-hexylphenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine?
The InChIKey is JDXMTAGDZGXWJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N5/c1-4-5-6-7-8-13-9-11-14(12-10-13)22-16(19)20-15(18)21-17(22,2)3/h9-12H,4-8H2,1-3H3,(H4,18,19,20,21).
What are the key properties of 1-(4-hexylphenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine?
1-(4-hexylphenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine has a molecular weight of 301.44 g/mol, XLogP of 2.99, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hexylphenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 10017760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).