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

C21H35N5 — CID 10383732

IUPAC1-(4-decylphenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine
SMILESCCCCCCCCCCc1ccc(N2C(N)=NC(N)=NC2(C)C)cc1
InChIInChI=1S/C21H35N5/c1-4-5-6-7-8-9-10-11-12-17-13-15-18(16-14-17)26-20(23)24-19(22)25-21(26,2)3/h13-16H,4-12H2,1-3H3,(H4,22,23,24,25)
InChIKeyPHUIWGMGVRLGCA-UHFFFAOYSA-N
MW357.55 g/mol
LogP4.56
Rot. Bonds10

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

1-(4-decylphenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine (PubChem CID 10383732) has the molecular formula C21H35N5 and a molecular weight of 357.55 g/mol. Its IUPAC name is 1-(4-decylphenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name1-(4-decylphenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine
PubChem CID10383732
Molecular FormulaC21H35N5
Molecular Weight357.55 g/mol
Exact Mass357.29
IUPAC Name1-(4-decylphenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine
SMILESCCCCCCCCCCc1ccc(N2C(N)=NC(N)=NC2(C)C)cc1
InChIInChI=1S/C21H35N5/c1-4-5-6-7-8-9-10-11-12-17-13-15-18(16-14-17)26-20(23)24-19(22)25-21(26,2)3/h13-16H,4-12H2,1-3H3,(H4,22,23,24,25)
InChIKeyPHUIWGMGVRLGCA-UHFFFAOYSA-N
XLogP4.56
TPSA80.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.55
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-(4-decylphenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(4-decylphenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 1-(4-decylphenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine (CID 10383732) is 1-(4-decylphenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 1-(4-decylphenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 1-(4-decylphenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine is CCCCCCCCCCc1ccc(N2C(N)=NC(N)=NC2(C)C)cc1.
What is the InChIKey of 1-(4-decylphenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine?
The InChIKey is PHUIWGMGVRLGCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H35N5/c1-4-5-6-7-8-9-10-11-12-17-13-15-18(16-14-17)26-20(23)24-19(22)25-21(26,2)3/h13-16H,4-12H2,1-3H3,(H4,22,23,24,25).
What are the key properties of 1-(4-decylphenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine?
1-(4-decylphenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine has a molecular weight of 357.55 g/mol, XLogP of 4.56, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-decylphenyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 10383732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).