4,6-dimorpholin-4-yl-N-octyl-1,3,5-triazin-2-amine

C19H34N6O2 — CID 2837387

IUPAC4,6-dimorpholin-4-yl-N-octyl-1,3,5-triazin-2-amine
SMILESCCCCCCCCNc1nc(N2CCOCC2)nc(N2CCOCC2)n1
InChIInChI=1S/C19H34N6O2/c1-2-3-4-5-6-7-8-20-17-21-18(24-9-13-26-14-10-24)23-19(22-17)25-11-15-27-16-12-25/h2-16H2,1H3,(H,20,21,22,23)
InChIKeyZIYSVQNVFRGYSP-UHFFFAOYSA-N
MW378.52 g/mol
LogP2.32
Rot. Bonds10

About 4,6-dimorpholin-4-yl-N-octyl-1,3,5-triazin-2-amine

4,6-dimorpholin-4-yl-N-octyl-1,3,5-triazin-2-amine (PubChem CID 2837387) has the molecular formula C19H34N6O2 and a molecular weight of 378.52 g/mol. Its IUPAC name is 4,6-dimorpholin-4-yl-N-octyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4,6-dimorpholin-4-yl-N-octyl-1,3,5-triazin-2-amine
PubChem CID2837387
Molecular FormulaC19H34N6O2
Molecular Weight378.52 g/mol
Exact Mass378.27
IUPAC Name4,6-dimorpholin-4-yl-N-octyl-1,3,5-triazin-2-amine
SMILESCCCCCCCCNc1nc(N2CCOCC2)nc(N2CCOCC2)n1
InChIInChI=1S/C19H34N6O2/c1-2-3-4-5-6-7-8-20-17-21-18(24-9-13-26-14-10-24)23-19(22-17)25-11-15-27-16-12-25/h2-16H2,1H3,(H,20,21,22,23)
InChIKeyZIYSVQNVFRGYSP-UHFFFAOYSA-N
XLogP2.32
TPSA75.64 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 4,6-dimorpholin-4-yl-N-octyl-1,3,5-triazin-2-amine 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

N-{2-[(4,6-di-1-piperidinyl-1,3,5-triazin-2-yl)oxy]ethyl}acetamide
CID 2186428
4,6-dimorpholin-4-yl-N-propyl-1,3,5-triazin-2-amine
CID 2057546
[4-Chloro-6-(octylamino)(1,3,5-triazin-2-yl)](2-morpholin-4-ylethyl)amine
CID 3117169
N-cyclohexyl-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine
CID 767098
N-(4-methylpentyl)-4,6-dimorpholin-4-yl-1,3,5-triazin-2-amine
CID 3605435
N-ethyl-4-[4-[2-(ethylamino)morpholin-4-yl]-6-piperidin-1-yl-1,3,5-triazin-2-yl]morpholin-2-amine
CID 49862875
N-ethyl-4-[4-[3-(ethylamino)morpholin-4-yl]-6-piperidin-1-yl-1,3,5-triazin-2-yl]morpholin-3-amine
CID 49862876
N-cyclopentyl-4,6-dimorpholino-1,3,5-triazin-2-amine
CID 7589329
Cambridge id 5354217
CID 779717
6-N-(2-methoxyethyl)-2-N,4-N-bis(1-morpholin-4-ylpropan-2-yl)-1,3,5-triazine-2,4,6-triamine
CID 71853074
2-[[4-[4-[(2S)-2-methylmorpholin-4-yl]piperidin-1-yl]-6-(propan-2-ylamino)-1,3,5-triazin-2-yl]amino]ethanol
CID 124848002
N-cyclopropyl-4,6-bis[(3R)-3-methylmorpholin-4-yl]-1,3,5-triazin-2-amine
CID 138022924

Frequently Asked Questions

What is the IUPAC name of 4,6-dimorpholin-4-yl-N-octyl-1,3,5-triazin-2-amine?
The IUPAC name of 4,6-dimorpholin-4-yl-N-octyl-1,3,5-triazin-2-amine (CID 2837387) is 4,6-dimorpholin-4-yl-N-octyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4,6-dimorpholin-4-yl-N-octyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4,6-dimorpholin-4-yl-N-octyl-1,3,5-triazin-2-amine is CCCCCCCCNc1nc(N2CCOCC2)nc(N2CCOCC2)n1.
What is the InChIKey of 4,6-dimorpholin-4-yl-N-octyl-1,3,5-triazin-2-amine?
The InChIKey is ZIYSVQNVFRGYSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N6O2/c1-2-3-4-5-6-7-8-20-17-21-18(24-9-13-26-14-10-24)23-19(22-17)25-11-15-27-16-12-25/h2-16H2,1H3,(H,20,21,22,23).
What are the key properties of 4,6-dimorpholin-4-yl-N-octyl-1,3,5-triazin-2-amine?
4,6-dimorpholin-4-yl-N-octyl-1,3,5-triazin-2-amine has a molecular weight of 378.52 g/mol, XLogP of 2.32, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimorpholin-4-yl-N-octyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 2837387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).