4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-6-N-butyl-2-N-(2-methylcyclohexyl)-1,3,5-triazine-2,4,6-triamine

C20H39N7O2 — CID 23758470

IUPAC4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-6-N-butyl-2-N-(2-methylcyclohexyl)-1,3,5-triazine-2,4,6-triamine
SMILESCCCCNc1nc(NCCOCCOCCN)nc(NC2CCCCC2C)n1
InChIInChI=1S/C20H39N7O2/c1-3-4-10-22-18-25-19(23-11-13-29-15-14-28-12-9-21)27-20(26-18)24-17-8-6-5-7-16(17)2/h16-17H,3-15,21H2,1-2H3,(H3,22,23,24,25,26,27)
InChIKeyQGCDLQYCGSZRFZ-UHFFFAOYSA-N
MW409.58 g/mol
LogP2.48
Rot. Bonds15

About 4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-6-N-butyl-2-N-(2-methylcyclohexyl)-1,3,5-triazine-2,4,6-triamine

4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-6-N-butyl-2-N-(2-methylcyclohexyl)-1,3,5-triazine-2,4,6-triamine (PubChem CID 23758470) has the molecular formula C20H39N7O2 and a molecular weight of 409.58 g/mol. Its IUPAC name is 4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-6-N-butyl-2-N-(2-methylcyclohexyl)-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-6-N-butyl-2-N-(2-methylcyclohexyl)-1,3,5-triazine-2,4,6-triamine
PubChem CID23758470
Molecular FormulaC20H39N7O2
Molecular Weight409.58 g/mol
Exact Mass409.32
IUPAC Name4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-6-N-butyl-2-N-(2-methylcyclohexyl)-1,3,5-triazine-2,4,6-triamine
SMILESCCCCNc1nc(NCCOCCOCCN)nc(NC2CCCCC2C)n1
InChIInChI=1S/C20H39N7O2/c1-3-4-10-22-18-25-19(23-11-13-29-15-14-28-12-9-21)27-20(26-18)24-17-8-6-5-7-16(17)2/h16-17H,3-15,21H2,1-2H3,(H3,22,23,24,25,26,27)
InChIKeyQGCDLQYCGSZRFZ-UHFFFAOYSA-N
XLogP2.48
TPSA119.24 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds15
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.58
LogP ≤ 52.48
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

2-N-[(1S)-1-cyclohexylethyl]-4-N,6-N-bis(2-methoxyethyl)-1,3,5-triazine-2,4,6-triamine
CID 11100275
2-N,4-N-bis(2-ethylhexyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
CID 23295153
6-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-N-cyclohexyl-2-N-cyclopentyl-1,3,5-triazine-2,4,6-triamine
CID 23816476
4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-(4-methylcyclohexyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
CID 23872952
4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-(2-bicyclo[2.2.1]heptanyl)-6-N-(3-methylbutyl)-1,3,5-triazine-2,4,6-triamine
CID 23873081
6-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-N-cyclooctyl-2-N-propan-2-yl-1,3,5-triazine-2,4,6-triamine
CID 23956851
14-N,29-N-bis[(1S)-1-cyclohexylethyl]-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 10908659
2-N-[(1R)-1-cyclohexylethyl]-4-N,6-N-bis(2-methoxyethyl)-1,3,5-triazine-2,4,6-triamine
CID 11727899
4-N-(3-ethoxypropyl)-6-methoxy-2-N-(3,3,5-trimethylcyclohexyl)-1,3,5-triazine-2,4-diamine
CID 13577402
2-N-(4-tert-butylcyclohexyl)-6-methoxy-4-N-(2-methoxyethyl)-1,3,5-triazine-2,4-diamine
CID 13577410
4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-6-cyclohexyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine
CID 23758052
1-[[[4-[2-[2-(2-Aminoethoxy)ethoxy]ethylamino]-6-(cyclopentylamino)-1,3,5-triazin-2-yl]amino]methyl]cyclohexan-1-ol
CID 23758192

Frequently Asked Questions

What is the IUPAC name of 4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-6-N-butyl-2-N-(2-methylcyclohexyl)-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-6-N-butyl-2-N-(2-methylcyclohexyl)-1,3,5-triazine-2,4,6-triamine (CID 23758470) is 4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-6-N-butyl-2-N-(2-methylcyclohexyl)-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-6-N-butyl-2-N-(2-methylcyclohexyl)-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-6-N-butyl-2-N-(2-methylcyclohexyl)-1,3,5-triazine-2,4,6-triamine is CCCCNc1nc(NCCOCCOCCN)nc(NC2CCCCC2C)n1.
What is the InChIKey of 4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-6-N-butyl-2-N-(2-methylcyclohexyl)-1,3,5-triazine-2,4,6-triamine?
The InChIKey is QGCDLQYCGSZRFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H39N7O2/c1-3-4-10-22-18-25-19(23-11-13-29-15-14-28-12-9-21)27-20(26-18)24-17-8-6-5-7-16(17)2/h16-17H,3-15,21H2,1-2H3,(H3,22,23,24,25,26,27).
What are the key properties of 4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-6-N-butyl-2-N-(2-methylcyclohexyl)-1,3,5-triazine-2,4,6-triamine?
4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-6-N-butyl-2-N-(2-methylcyclohexyl)-1,3,5-triazine-2,4,6-triamine has a molecular weight of 409.58 g/mol, XLogP of 2.48, 15 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-6-N-butyl-2-N-(2-methylcyclohexyl)-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 23758470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).