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

C15H29N5 — CID 3778626

IUPAC6-dodecyl-1,3,5-triazine-2,4-diamine
SMILESCCCCCCCCCCCCc1nc(N)nc(N)n1
InChIInChI=1S/C15H29N5/c1-2-3-4-5-6-7-8-9-10-11-12-13-18-14(16)20-15(17)19-13/h2-12H2,1H3,(H4,16,17,18,19,20)
InChIKeySAIFWPKRQHNJKZ-UHFFFAOYSA-N
MW279.43 g/mol
LogP3.50
Rot. Bonds11

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

6-dodecyl-1,3,5-triazine-2,4-diamine (PubChem CID 3778626) has the molecular formula C15H29N5 and a molecular weight of 279.43 g/mol. Its IUPAC name is 6-dodecyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-dodecyl-1,3,5-triazine-2,4-diamine
PubChem CID3778626
Molecular FormulaC15H29N5
Molecular Weight279.43 g/mol
Exact Mass279.24
IUPAC Name6-dodecyl-1,3,5-triazine-2,4-diamine
SMILESCCCCCCCCCCCCc1nc(N)nc(N)n1
InChIInChI=1S/C15H29N5/c1-2-3-4-5-6-7-8-9-10-11-12-13-18-14(16)20-15(17)19-13/h2-12H2,1H3,(H4,16,17,18,19,20)
InChIKeySAIFWPKRQHNJKZ-UHFFFAOYSA-N
XLogP3.50
TPSA90.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 53.50
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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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-Ethyl-1,3,5-triazine-2,4-diamine
CID 13628
6-Propyl-1,3,5-triazine-2,4-diamine
CID 22252
6-Pentyl-1,3,5-triazine-2,4-diamine
CID 18673
6-Heptadecyl-1,3,5-triazine-2,4-diamine
CID 17329
1,3,5-Triazine-2,4-diamine, 6,6'-(1,4-butanediyl)bis-
CID 78042
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-Nonyl-1,3,5-triazine
CID 57006299

Frequently Asked Questions

What is the IUPAC name of 6-dodecyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-dodecyl-1,3,5-triazine-2,4-diamine (CID 3778626) is 6-dodecyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-dodecyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-dodecyl-1,3,5-triazine-2,4-diamine is CCCCCCCCCCCCc1nc(N)nc(N)n1.
What is the InChIKey of 6-dodecyl-1,3,5-triazine-2,4-diamine?
The InChIKey is SAIFWPKRQHNJKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N5/c1-2-3-4-5-6-7-8-9-10-11-12-13-18-14(16)20-15(17)19-13/h2-12H2,1H3,(H4,16,17,18,19,20).
What are the key properties of 6-dodecyl-1,3,5-triazine-2,4-diamine?
6-dodecyl-1,3,5-triazine-2,4-diamine has a molecular weight of 279.43 g/mol, XLogP of 3.50, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-dodecyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 3778626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).