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

C23H45N5O — CID 56617929

IUPAC6-(2-octadecoxyethyl)-1,3,5-triazine-2,4-diamine
SMILESCCCCCCCCCCCCCCCCCCOCCc1nc(N)nc(N)n1
InChIInChI=1S/C23H45N5O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-29-20-18-21-26-22(24)28-23(25)27-21/h2-20H2,1H3,(H4,24,25,26,27,28)
InChIKeyYDKJKJNLRMJEIJ-UHFFFAOYSA-N
MW407.65 g/mol
LogP5.86
Rot. Bonds20

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

6-(2-octadecoxyethyl)-1,3,5-triazine-2,4-diamine (PubChem CID 56617929) has the molecular formula C23H45N5O and a molecular weight of 407.65 g/mol. Its IUPAC name is 6-(2-octadecoxyethyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-(2-octadecoxyethyl)-1,3,5-triazine-2,4-diamine
PubChem CID56617929
Molecular FormulaC23H45N5O
Molecular Weight407.65 g/mol
Exact Mass407.36
IUPAC Name6-(2-octadecoxyethyl)-1,3,5-triazine-2,4-diamine
SMILESCCCCCCCCCCCCCCCCCCOCCc1nc(N)nc(N)n1
InChIInChI=1S/C23H45N5O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-29-20-18-21-26-22(24)28-23(25)27-21/h2-20H2,1H3,(H4,24,25,26,27,28)
InChIKeyYDKJKJNLRMJEIJ-UHFFFAOYSA-N
XLogP5.86
TPSA99.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds20
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.65
LogP ≤ 55.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 6-(2-octadecoxyethyl)-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-(2-Butoxyethyl)-1,3,5-triazine-2,4-diamine
CID 56637724
6-(2-Octadecoxyethyl)-1,3,5-triazine-2,4-diamine;1,3,5-triazinane-2,4,6-trione
CID 70429355
6-(Oxan-2-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 112681487
2-(2-Decoxyethyl)-1,3,5-triazine
CID 151479987
4-Octoxy-6-(3-triethoxysilylpropyl)-1,3,5-triazin-2-amine
CID 175220814
4-Hexoxy-6-methyl-1,3,5-triazin-2-amine
CID 175634877
6-(2-Heptyloxyethyl)-1,3,5-triazine-2,4-diamine
CID 4109254
[4,6-Bis(dodecyloxy)-1,3,5-triazin-2-yl]propanedinitrile
CID 71400394
[4,6-Bis(octyloxy)-1,3,5-triazin-2-yl]propanedinitrile
CID 71400395
4-Methyl-6-(oxan-2-ylmethyl)-1,3,5-triazin-2-amine
CID 104253634
4-Ethyl-6-(oxan-2-ylmethyl)-1,3,5-triazin-2-amine
CID 104253638
6-[2-(Oxan-2-yl)ethyl]-1,3,5-triazine-2,4-diamine
CID 112681556

Frequently Asked Questions

What is the IUPAC name of 6-(2-octadecoxyethyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-(2-octadecoxyethyl)-1,3,5-triazine-2,4-diamine (CID 56617929) is 6-(2-octadecoxyethyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-(2-octadecoxyethyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-(2-octadecoxyethyl)-1,3,5-triazine-2,4-diamine is CCCCCCCCCCCCCCCCCCOCCc1nc(N)nc(N)n1.
What is the InChIKey of 6-(2-octadecoxyethyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is YDKJKJNLRMJEIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H45N5O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-29-20-18-21-26-22(24)28-23(25)27-21/h2-20H2,1H3,(H4,24,25,26,27,28).
What are the key properties of 6-(2-octadecoxyethyl)-1,3,5-triazine-2,4-diamine?
6-(2-octadecoxyethyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 407.65 g/mol, XLogP of 5.86, 20 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-octadecoxyethyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 56617929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).