2-N,4-N-didodecyl-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine

C31H60N6O — CID 23295151

IUPAC2-N,4-N-didodecyl-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
SMILESCCCCCCCCCCCCNc1nc(NCCCCCCCCCCCC)nc(N2CCOCC2)n1
InChIInChI=1S/C31H60N6O/c1-3-5-7-9-11-13-15-17-19-21-23-32-29-34-30(36-31(35-29)37-25-27-38-28-26-37)33-24-22-20-18-16-14-12-10-8-6-4-2/h3-28H2,1-2H3,(H2,32,33,34,35,36)
InChIKeyOTXMJGYOVFLDMG-UHFFFAOYSA-N
MW532.86 g/mol
LogP8.37
Rot. Bonds25

About 2-N,4-N-didodecyl-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine

2-N,4-N-didodecyl-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine (PubChem CID 23295151) has the molecular formula C31H60N6O and a molecular weight of 532.86 g/mol. Its IUPAC name is 2-N,4-N-didodecyl-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N,4-N-didodecyl-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
PubChem CID23295151
Molecular FormulaC31H60N6O
Molecular Weight532.86 g/mol
Exact Mass532.48
IUPAC Name2-N,4-N-didodecyl-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
SMILESCCCCCCCCCCCCNc1nc(NCCCCCCCCCCCC)nc(N2CCOCC2)n1
InChIInChI=1S/C31H60N6O/c1-3-5-7-9-11-13-15-17-19-21-23-32-29-34-30(36-31(35-29)37-25-27-38-28-26-37)33-24-22-20-18-16-14-12-10-8-6-4-2/h3-28H2,1-2H3,(H2,32,33,34,35,36)
InChIKeyOTXMJGYOVFLDMG-UHFFFAOYSA-N
XLogP8.37
TPSA75.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds25
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500532.86
LogP ≤ 58.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 2-N,4-N-didodecyl-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine with MolForge

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Launch Full Analysis

Related Compounds

N-cyclopentyl-6-(morpholin-4-yl)-N'-(propan-2-yl)-1,3,5-triazine-2,4-diamine
CID 672863
[4-Chloro-6-(octylamino)(1,3,5-triazin-2-yl)](2-morpholin-4-ylethyl)amine
CID 3117169
N-ethyl-4-[4-[3-(ethylamino)morpholin-4-yl]-6-piperidin-1-yl-1,3,5-triazin-2-yl]morpholin-3-amine
CID 49862876
6-morpholin-4-yl-2-N,4-N-dipropyl-1,3,5-triazine-2,4-diamine
CID 4575981
14-N,29-N-dioctyl-5,8,20,23-tetraoxa-2,11,13,15,17,26,28,30,31,32-decazatricyclo[25.3.1.112,16]dotriaconta-1(31),12(32),13,15,27,29-hexaene-14,29-diamine
CID 13330166
2,2'-{[4,6-Bis(octylamino)-1,3,5-triazin-2-yl]azanediyl}diethanol
CID 139083246
4,6-dimorpholin-4-yl-N-octadecyl-1,3,5-triazin-2-amine
CID 101603174
2-N-[2-(2,2-difluoroethoxy)ethyl]-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine
CID 105922438
4-Morpholin-4-yl-6-tridecyl-1,3,5-triazin-2-amine
CID 314589
14,29-Dichloro-2,11-dioctyl-5,8,20,23-tetraoxa-2,11,13,15,17,26,28,30,31,32-decazatricyclo[25.3.1.112,16]dotriaconta-1(30),12,14,16(32),27(31),28-hexaene
CID 354706
{6-[(Tert-butyl)amino]-4-morpholin-4-yl(1,3,5-triazin-2-yl)}dipropylamine
CID 723019
N-(tert-butyl)-N'-cyclohexyl-6-(4-morpholinyl)-1,3,5-triazine-2,4-diamine
CID 754499

Frequently Asked Questions

What is the IUPAC name of 2-N,4-N-didodecyl-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N,4-N-didodecyl-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine (CID 23295151) is 2-N,4-N-didodecyl-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N,4-N-didodecyl-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N,4-N-didodecyl-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine is CCCCCCCCCCCCNc1nc(NCCCCCCCCCCCC)nc(N2CCOCC2)n1.
What is the InChIKey of 2-N,4-N-didodecyl-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine?
The InChIKey is OTXMJGYOVFLDMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H60N6O/c1-3-5-7-9-11-13-15-17-19-21-23-32-29-34-30(36-31(35-29)37-25-27-38-28-26-37)33-24-22-20-18-16-14-12-10-8-6-4-2/h3-28H2,1-2H3,(H2,32,33,34,35,36).
What are the key properties of 2-N,4-N-didodecyl-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine?
2-N,4-N-didodecyl-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine has a molecular weight of 532.86 g/mol, XLogP of 8.37, 25 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4-N-didodecyl-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 23295151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).