6-cyclohexyl-2-N,4-N-bis(2-ethoxyethyl)-1,3,5-triazine-2,4-diamine

C17H31N5O2 — CID 22070337

IUPAC6-cyclohexyl-2-N,4-N-bis(2-ethoxyethyl)-1,3,5-triazine-2,4-diamine
SMILESCCOCCNc1nc(NCCOCC)nc(C2CCCCC2)n1
InChIInChI=1S/C17H31N5O2/c1-3-23-12-10-18-16-20-15(14-8-6-5-7-9-14)21-17(22-16)19-11-13-24-4-2/h14H,3-13H2,1-2H3,(H2,18,19,20,21,22)
InChIKeyMQHRZXHVTKXYDX-UHFFFAOYSA-N
MW337.47 g/mol
LogP2.82
Rot. Bonds11

About 6-cyclohexyl-2-N,4-N-bis(2-ethoxyethyl)-1,3,5-triazine-2,4-diamine

6-cyclohexyl-2-N,4-N-bis(2-ethoxyethyl)-1,3,5-triazine-2,4-diamine (PubChem CID 22070337) has the molecular formula C17H31N5O2 and a molecular weight of 337.47 g/mol. Its IUPAC name is 6-cyclohexyl-2-N,4-N-bis(2-ethoxyethyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-cyclohexyl-2-N,4-N-bis(2-ethoxyethyl)-1,3,5-triazine-2,4-diamine
PubChem CID22070337
Molecular FormulaC17H31N5O2
Molecular Weight337.47 g/mol
Exact Mass337.25
IUPAC Name6-cyclohexyl-2-N,4-N-bis(2-ethoxyethyl)-1,3,5-triazine-2,4-diamine
SMILESCCOCCNc1nc(NCCOCC)nc(C2CCCCC2)n1
InChIInChI=1S/C17H31N5O2/c1-3-23-12-10-18-16-20-15(14-8-6-5-7-9-14)21-17(22-16)19-11-13-24-4-2/h14H,3-13H2,1-2H3,(H2,18,19,20,21,22)
InChIKeyMQHRZXHVTKXYDX-UHFFFAOYSA-N
XLogP2.82
TPSA81.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.47
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[[4-Cyclohexyl-6-[2-(2-hydroxyethoxy)ethylamino]-1,3,5-triazin-2-yl]amino]ethoxy]ethanol
CID 22070343
6-[2-[4,6-bis(2-ethoxyethylamino)-1,3,5-triazin-2-yl]cyclohexyl]-2-N,4-N-bis(2-ethoxyethyl)-1,3,5-triazine-2,4-diamine
CID 54545571
1-[[4-Cyclohexyl-6-(2-hydroxypropylamino)-1,3,5-triazin-2-yl]amino]propan-2-ol
CID 67592285
6-cyclohexyl-2-N,4-N-bis(2-morpholin-4-ylethyl)-1,3,5-triazine-2,4-diamine
CID 67592814
2-[[4-Cyclohexyl-6-(2-hydroxyethylamino)-1,3,5-triazin-2-yl]amino]ethanol
CID 67593026
6-cyclohexyl-2-N,2-N,4-N-tris(methoxymethyl)-1,3,5-triazine-2,4-diamine
CID 69618905
4-(Cyclohexylmethylamino)-6-morpholin-4-yl-1,3,5-triazine-2-carbonitrile
CID 69716417
1-[Butoxymethyl-[4-(butoxymethylamino)-6-cyclohexyl-1,3,5-triazin-2-yl]amino]ethanol
CID 89518903
1-[[4-[Butoxymethyl(methoxymethyl)amino]-6-(4-methylcyclohexyl)-1,3,5-triazin-2-yl]amino]ethanol
CID 89518906
1-[[4-Cyclohexyl-6-(methoxymethylamino)-1,3,5-triazin-2-yl]-(methoxymethyl)amino]ethanol
CID 89518909
N-(3-cyclobutylpropyl)-4-cyclopropyl-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 118045119
N-(1-cyclobutylpropyl)-4-cyclopropyl-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 118045121

Frequently Asked Questions

What is the IUPAC name of 6-cyclohexyl-2-N,4-N-bis(2-ethoxyethyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-cyclohexyl-2-N,4-N-bis(2-ethoxyethyl)-1,3,5-triazine-2,4-diamine (CID 22070337) is 6-cyclohexyl-2-N,4-N-bis(2-ethoxyethyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-cyclohexyl-2-N,4-N-bis(2-ethoxyethyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-cyclohexyl-2-N,4-N-bis(2-ethoxyethyl)-1,3,5-triazine-2,4-diamine is CCOCCNc1nc(NCCOCC)nc(C2CCCCC2)n1.
What is the InChIKey of 6-cyclohexyl-2-N,4-N-bis(2-ethoxyethyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is MQHRZXHVTKXYDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N5O2/c1-3-23-12-10-18-16-20-15(14-8-6-5-7-9-14)21-17(22-16)19-11-13-24-4-2/h14H,3-13H2,1-2H3,(H2,18,19,20,21,22).
What are the key properties of 6-cyclohexyl-2-N,4-N-bis(2-ethoxyethyl)-1,3,5-triazine-2,4-diamine?
6-cyclohexyl-2-N,4-N-bis(2-ethoxyethyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 337.47 g/mol, XLogP of 2.82, 11 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclohexyl-2-N,4-N-bis(2-ethoxyethyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 22070337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).