6-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-N-cyclooctyl-2-N-propan-2-yl-1,3,5-triazine-2,4,6-triamine

C20H39N7O2 — CID 23956851

IUPAC6-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-N-cyclooctyl-2-N-propan-2-yl-1,3,5-triazine-2,4,6-triamine
SMILESCC(C)Nc1nc(NCCOCCOCCN)nc(NC2CCCCCCC2)n1
InChIInChI=1S/C20H39N7O2/c1-16(2)23-19-25-18(22-11-13-29-15-14-28-12-10-21)26-20(27-19)24-17-8-6-4-3-5-7-9-17/h16-17H,3-15,21H2,1-2H3,(H3,22,23,24,25,26,27)
InChIKeyGBAJQJTUFBBNDW-UHFFFAOYSA-N
MW409.58 g/mol
LogP2.62
Rot. Bonds13

About 6-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-N-cyclooctyl-2-N-propan-2-yl-1,3,5-triazine-2,4,6-triamine

6-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-N-cyclooctyl-2-N-propan-2-yl-1,3,5-triazine-2,4,6-triamine (PubChem CID 23956851) has the molecular formula C20H39N7O2 and a molecular weight of 409.58 g/mol. Its IUPAC name is 6-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-N-cyclooctyl-2-N-propan-2-yl-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name6-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-N-cyclooctyl-2-N-propan-2-yl-1,3,5-triazine-2,4,6-triamine
PubChem CID23956851
Molecular FormulaC20H39N7O2
Molecular Weight409.58 g/mol
Exact Mass409.32
IUPAC Name6-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-N-cyclooctyl-2-N-propan-2-yl-1,3,5-triazine-2,4,6-triamine
SMILESCC(C)Nc1nc(NCCOCCOCCN)nc(NC2CCCCCCC2)n1
InChIInChI=1S/C20H39N7O2/c1-16(2)23-19-25-18(22-11-13-29-15-14-28-12-10-21)26-20(27-19)24-17-8-6-4-3-5-7-9-17/h16-17H,3-15,21H2,1-2H3,(H3,22,23,24,25,26,27)
InChIKeyGBAJQJTUFBBNDW-UHFFFAOYSA-N
XLogP2.62
TPSA119.24 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds13
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.58
LogP ≤ 52.62
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

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-N-[(1S)-1-cyclohexylethyl]-4-N,6-N-bis(2-methoxyethyl)-1,3,5-triazine-2,4,6-triamine
CID 11100275
6-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-N-cyclohexyl-2-N-cyclopentyl-1,3,5-triazine-2,4,6-triamine
CID 23816476
2-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-N-octyl-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
CID 23901115
4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-cycloheptyl-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
CID 23956718
6-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-cyclooctyl-4-N-(oxolan-2-ylmethyl)-1,3,5-triazine-2,4,6-triamine
CID 24176174
2-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-6-decyl-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 135300695
4-chloro-N-hexadecyl-6-(1,4,10-trioxa-7,13-diazacyclopentadec-7-yl)-1,3,5-triazin-2-amine
CID 144387717
2-N-[(1R)-1-cyclohexylethyl]-4-N,6-N-bis(2-methoxyethyl)-1,3,5-triazine-2,4,6-triamine
CID 11727899
4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-cyclohexyl-6-decyl-1,3,5-triazine-2,4-diamine
CID 23758059
6-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-cyclohexyl-4-N-cyclopropyl-2-N-methyl-1,3,5-triazine-2,4,6-triamine
CID 23758301
4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-(cyclohexylmethyl)-6-N-(3-methylbutyl)-1,3,5-triazine-2,4,6-triamine
CID 23758451

Frequently Asked Questions

What is the IUPAC name of 6-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-N-cyclooctyl-2-N-propan-2-yl-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 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) is 6-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-N-cyclooctyl-2-N-propan-2-yl-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 6-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-N-cyclooctyl-2-N-propan-2-yl-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 6-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-N-cyclooctyl-2-N-propan-2-yl-1,3,5-triazine-2,4,6-triamine is CC(C)Nc1nc(NCCOCCOCCN)nc(NC2CCCCCCC2)n1.
What is the InChIKey of 6-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-N-cyclooctyl-2-N-propan-2-yl-1,3,5-triazine-2,4,6-triamine?
The InChIKey is GBAJQJTUFBBNDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H39N7O2/c1-16(2)23-19-25-18(22-11-13-29-15-14-28-12-10-21)26-20(27-19)24-17-8-6-4-3-5-7-9-17/h16-17H,3-15,21H2,1-2H3,(H3,22,23,24,25,26,27).
What are the key properties of 6-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-N-cyclooctyl-2-N-propan-2-yl-1,3,5-triazine-2,4,6-triamine?
6-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-N-cyclooctyl-2-N-propan-2-yl-1,3,5-triazine-2,4,6-triamine has a molecular weight of 409.58 g/mol, XLogP of 2.62, 13 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-N-cyclooctyl-2-N-propan-2-yl-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 23956851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).