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

C19H31N5 — CID 10065177

IUPAC6,6-dimethyl-1-(4-octylphenyl)-1,3,5-triazine-2,4-diamine
SMILESCCCCCCCCc1ccc(N2C(N)=NC(N)=NC2(C)C)cc1
InChIInChI=1S/C19H31N5/c1-4-5-6-7-8-9-10-15-11-13-16(14-12-15)24-18(21)22-17(20)23-19(24,2)3/h11-14H,4-10H2,1-3H3,(H4,20,21,22,23)
InChIKeyQVCAKYMDCCPESN-UHFFFAOYSA-N
MW329.49 g/mol
LogP3.78
Rot. Bonds8

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

6,6-dimethyl-1-(4-octylphenyl)-1,3,5-triazine-2,4-diamine (PubChem CID 10065177) has the molecular formula C19H31N5 and a molecular weight of 329.49 g/mol. Its IUPAC name is 6,6-dimethyl-1-(4-octylphenyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6,6-dimethyl-1-(4-octylphenyl)-1,3,5-triazine-2,4-diamine
PubChem CID10065177
Molecular FormulaC19H31N5
Molecular Weight329.49 g/mol
Exact Mass329.26
IUPAC Name6,6-dimethyl-1-(4-octylphenyl)-1,3,5-triazine-2,4-diamine
SMILESCCCCCCCCc1ccc(N2C(N)=NC(N)=NC2(C)C)cc1
InChIInChI=1S/C19H31N5/c1-4-5-6-7-8-9-10-15-11-13-16(14-12-15)24-18(21)22-17(20)23-19(24,2)3/h11-14H,4-10H2,1-3H3,(H4,20,21,22,23)
InChIKeyQVCAKYMDCCPESN-UHFFFAOYSA-N
XLogP3.78
TPSA80.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.49
LogP ≤ 53.78
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-octylphenyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6,6-dimethyl-1-(4-octylphenyl)-1,3,5-triazine-2,4-diamine (CID 10065177) is 6,6-dimethyl-1-(4-octylphenyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6,6-dimethyl-1-(4-octylphenyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6,6-dimethyl-1-(4-octylphenyl)-1,3,5-triazine-2,4-diamine is CCCCCCCCc1ccc(N2C(N)=NC(N)=NC2(C)C)cc1.
What is the InChIKey of 6,6-dimethyl-1-(4-octylphenyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is QVCAKYMDCCPESN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N5/c1-4-5-6-7-8-9-10-15-11-13-16(14-12-15)24-18(21)22-17(20)23-19(24,2)3/h11-14H,4-10H2,1-3H3,(H4,20,21,22,23).
What are the key properties of 6,6-dimethyl-1-(4-octylphenyl)-1,3,5-triazine-2,4-diamine?
6,6-dimethyl-1-(4-octylphenyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 329.49 g/mol, XLogP of 3.78, 8 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-octylphenyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 10065177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).