N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-propan-2-yloxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine

C16H30N6O3 — CID 23816537

IUPACN-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-propan-2-yloxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
SMILESCC(C)Oc1nc(NCCOCCOCCN)nc(N2CCCC2)n1
InChIInChI=1S/C16H30N6O3/c1-13(2)25-16-20-14(18-6-10-24-12-11-23-9-5-17)19-15(21-16)22-7-3-4-8-22/h13H,3-12,17H2,1-2H3,(H,18,19,20,21)
InChIKeyDYKBEULKHLRRJC-UHFFFAOYSA-N
MW354.46 g/mol
LogP0.66
Rot. Bonds12

About N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-propan-2-yloxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine

N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-propan-2-yloxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine (PubChem CID 23816537) has the molecular formula C16H30N6O3 and a molecular weight of 354.46 g/mol. Its IUPAC name is N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-propan-2-yloxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-propan-2-yloxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
PubChem CID23816537
Molecular FormulaC16H30N6O3
Molecular Weight354.46 g/mol
Exact Mass354.24
IUPAC NameN-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-propan-2-yloxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
SMILESCC(C)Oc1nc(NCCOCCOCCN)nc(N2CCCC2)n1
InChIInChI=1S/C16H30N6O3/c1-13(2)25-16-20-14(18-6-10-24-12-11-23-9-5-17)19-15(21-16)22-7-3-4-8-22/h13H,3-12,17H2,1-2H3,(H,18,19,20,21)
InChIKeyDYKBEULKHLRRJC-UHFFFAOYSA-N
XLogP0.66
TPSA107.65 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.46
LogP ≤ 50.66
H-Bond Donors ≤ 52
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-[2-(2,2-difluoroethoxy)ethyl]-4-N-methyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 105922364
2-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-N-octyl-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
CID 23901115
2-N,2-N,4-N,4-N-tetrakis[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-6-N-propyl-1,3,5-triazine-2,4,6-triamine
CID 58868228
2-N-(1-butan-2-yloxy-2-methoxyethyl)-1,3,5-triazine-2,4,6-triamine
CID 67940590
4-Pyrrolidin-1-yl-6-pyrrolidin-3-yloxy-1,3,5-triazin-2-amine
CID 175996550
N-butyl-4-morpholin-4-yl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 351359
N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-chloro-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 23758424
4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-cyclobutyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 23758426
4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N,2-N-dibutyl-6-N-(3-methylbutyl)-1,3,5-triazine-2,4,6-triamine
CID 23758450
6-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N,2-N-dibutyl-4-N-cyclopentyl-1,3,5-triazine-2,4,6-triamine
CID 23758455
4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-(oxolan-2-ylmethyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 23758499
2-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-N-butyl-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
CID 23758517

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-propan-2-yloxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine?
The IUPAC name of N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-propan-2-yloxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine (CID 23816537) is N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-propan-2-yloxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-propan-2-yloxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine?
The canonical SMILES for N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-propan-2-yloxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine is CC(C)Oc1nc(NCCOCCOCCN)nc(N2CCCC2)n1.
What is the InChIKey of N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-propan-2-yloxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine?
The InChIKey is DYKBEULKHLRRJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N6O3/c1-13(2)25-16-20-14(18-6-10-24-12-11-23-9-5-17)19-15(21-16)22-7-3-4-8-22/h13H,3-12,17H2,1-2H3,(H,18,19,20,21).
What are the key properties of N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-propan-2-yloxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine?
N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-propan-2-yloxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine has a molecular weight of 354.46 g/mol, XLogP of 0.66, 12 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-propan-2-yloxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 23816537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).