6-heptadecyl-1,3,5-triazine-2,4-diamine

C20H39N5 — CID 17329

IUPAC6-heptadecyl-1,3,5-triazine-2,4-diamine
SMILESCCCCCCCCCCCCCCCCCc1nc(N)nc(N)n1
InChIInChI=1S/C20H39N5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-19(21)25-20(22)24-18/h2-17H2,1H3,(H4,21,22,23,24,25)
InChIKeyYZVJFFKAKLWXOE-UHFFFAOYSA-N
MW349.57 g/mol
LogP5.45
Rot. Bonds16

About 6-heptadecyl-1,3,5-triazine-2,4-diamine

6-heptadecyl-1,3,5-triazine-2,4-diamine (PubChem CID 17329) has the molecular formula C20H39N5 and a molecular weight of 349.57 g/mol. Its IUPAC name is 6-heptadecyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-heptadecyl-1,3,5-triazine-2,4-diamine
PubChem CID17329
Molecular FormulaC20H39N5
Molecular Weight349.57 g/mol
Exact Mass349.32
IUPAC Name6-heptadecyl-1,3,5-triazine-2,4-diamine
SMILESCCCCCCCCCCCCCCCCCc1nc(N)nc(N)n1
InChIInChI=1S/C20H39N5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-19(21)25-20(22)24-18/h2-17H2,1H3,(H4,21,22,23,24,25)
InChIKeyYZVJFFKAKLWXOE-UHFFFAOYSA-N
XLogP5.45
TPSA90.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds16
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.57
LogP ≤ 55.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 6-heptadecyl-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

Related Compounds

6-Undecyl-1,3,5-triazine-2,4-diamine
CID 75673
6-Nonyl-1,3,5-triazine-2,4-diamine
CID 22209
6-Pentyl-1,3,5-triazine-2,4-diamine
CID 18673
1,3,5-Triazine-2,4-diamine, 6-butyl-
CID 18602
6-Heptyl-1,3,5-triazine-2,4-diamine
CID 80121
1,3,5-Triazine-2,4-diamine, 6-decyl-
CID 122442
6-Heptadecyl-N~2~,N~2~-dimethyl-1,3,5-triazine-2,4-diamine
CID 316304
2,4-Dimethoxy-6-tetradecyl-1,3,5-triazine
CID 21024307
2-Hexyl-4,6-dimethyl-1,3,5-triazine
CID 118410366
2,4-Dichloro-6-octyl-1,3,5-triazine
CID 129829092
6-Tridecyl-1,3,5-triazine-2,4-diamine
CID 80216
6-(4,4,5,5,6,6,7,7,7-Nonafluoroheptyl)-1,3,5-triazine-2,4-diamine
CID 14512656

Frequently Asked Questions

What is the IUPAC name of 6-heptadecyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-heptadecyl-1,3,5-triazine-2,4-diamine (CID 17329) is 6-heptadecyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-heptadecyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-heptadecyl-1,3,5-triazine-2,4-diamine is CCCCCCCCCCCCCCCCCc1nc(N)nc(N)n1.
What is the InChIKey of 6-heptadecyl-1,3,5-triazine-2,4-diamine?
The InChIKey is YZVJFFKAKLWXOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H39N5/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-19(21)25-20(22)24-18/h2-17H2,1H3,(H4,21,22,23,24,25).
What are the key properties of 6-heptadecyl-1,3,5-triazine-2,4-diamine?
6-heptadecyl-1,3,5-triazine-2,4-diamine has a molecular weight of 349.57 g/mol, XLogP of 5.45, 16 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-heptadecyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 17329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).