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

C16H31N7O2 — CID 23873074

IUPAC6-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-N-cyclobutyl-2-N-propan-2-yl-1,3,5-triazine-2,4,6-triamine
SMILESCC(C)Nc1nc(NCCOCCOCCN)nc(NC2CCC2)n1
InChIInChI=1S/C16H31N7O2/c1-12(2)19-15-21-14(18-7-9-25-11-10-24-8-6-17)22-16(23-15)20-13-4-3-5-13/h12-13H,3-11,17H2,1-2H3,(H3,18,19,20,21,22,23)
InChIKeyJGVGBKNEZZVXRT-UHFFFAOYSA-N
MW353.47 g/mol
LogP1.06
Rot. Bonds13

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

6-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-N-cyclobutyl-2-N-propan-2-yl-1,3,5-triazine-2,4,6-triamine (PubChem CID 23873074) has the molecular formula C16H31N7O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is 6-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-N-cyclobutyl-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-cyclobutyl-2-N-propan-2-yl-1,3,5-triazine-2,4,6-triamine
PubChem CID23873074
Molecular FormulaC16H31N7O2
Molecular Weight353.47 g/mol
Exact Mass353.25
IUPAC Name6-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-N-cyclobutyl-2-N-propan-2-yl-1,3,5-triazine-2,4,6-triamine
SMILESCC(C)Nc1nc(NCCOCCOCCN)nc(NC2CCC2)n1
InChIInChI=1S/C16H31N7O2/c1-12(2)19-15-21-14(18-7-9-25-11-10-24-8-6-17)22-16(23-15)20-13-4-3-5-13/h12-13H,3-11,17H2,1-2H3,(H3,18,19,20,21,22,23)
InChIKeyJGVGBKNEZZVXRT-UHFFFAOYSA-N
XLogP1.06
TPSA119.24 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds13
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 51.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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

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Related Compounds

6-chloro-2-N-(1-methoxypropan-2-yl)-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 21161219
2-N-(1-ethoxy-2-methoxyethyl)-1,3,5-triazine-2,4,6-triamine
CID 23206843
2-N-(1-butoxy-2-methoxyethyl)-1,3,5-triazine-2,4,6-triamine
CID 23206845
6-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-N-cyclohexyl-2-N-cyclopentyl-1,3,5-triazine-2,4,6-triamine
CID 23816476
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
4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-cyclobutyl-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
CID 24040090
N-(2-butoxyethyl)-4,6-dimethoxy-1,3,5-triazin-2-amine
CID 55135504
2-N,4-N,6-N-tris(2-propoxyethyl)-1,3,5-triazine-2,4,6-triamine
CID 58097420
6-chloro-4-N-methyl-2-N-[2-(2-propoxyethoxy)ethyl]-1,3,5-triazine-2,4-diamine
CID 58479544
6-chloro-2-N,4-N-bis[1-(2-methoxyethoxy)propan-2-yl]-1,3,5-triazine-2,4-diamine
CID 58479546
4-N,6-N-dibutyl-2-N-(2-ethoxyethyl)-1,3,5-triazine-2,4,6-triamine
CID 59235529
6-chloro-2-N,4-N-bis(1-methoxypropan-2-yl)-1,3,5-triazine-2,4-diamine
CID 88454228

Frequently Asked Questions

What is the IUPAC name of 6-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-N-cyclobutyl-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-cyclobutyl-2-N-propan-2-yl-1,3,5-triazine-2,4,6-triamine (CID 23873074) is 6-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-N-cyclobutyl-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-cyclobutyl-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-cyclobutyl-2-N-propan-2-yl-1,3,5-triazine-2,4,6-triamine is CC(C)Nc1nc(NCCOCCOCCN)nc(NC2CCC2)n1.
What is the InChIKey of 6-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-N-cyclobutyl-2-N-propan-2-yl-1,3,5-triazine-2,4,6-triamine?
The InChIKey is JGVGBKNEZZVXRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N7O2/c1-12(2)19-15-21-14(18-7-9-25-11-10-24-8-6-17)22-16(23-15)20-13-4-3-5-13/h12-13H,3-11,17H2,1-2H3,(H3,18,19,20,21,22,23).
What are the key properties of 6-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-N-cyclobutyl-2-N-propan-2-yl-1,3,5-triazine-2,4,6-triamine?
6-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-N-cyclobutyl-2-N-propan-2-yl-1,3,5-triazine-2,4,6-triamine has a molecular weight of 353.47 g/mol, XLogP of 1.06, 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-cyclobutyl-2-N-propan-2-yl-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 23873074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).