4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-pentan-3-yl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine

C18H35N7O2 — CID 23873060

IUPAC4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-pentan-3-yl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
SMILESCCC(CC)Nc1nc(NCCOCCOCCN)nc(N2CCCC2)n1
InChIInChI=1S/C18H35N7O2/c1-3-15(4-2)21-17-22-16(20-8-12-27-14-13-26-11-7-19)23-18(24-17)25-9-5-6-10-25/h15H,3-14,19H2,1-2H3,(H2,20,21,22,23,24)
InChIKeyQQMYDUOQNDVLKB-UHFFFAOYSA-N
MW381.53 g/mol
LogP1.48
Rot. Bonds14

About 4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-pentan-3-yl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine

4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-pentan-3-yl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine (PubChem CID 23873060) has the molecular formula C18H35N7O2 and a molecular weight of 381.53 g/mol. Its IUPAC name is 4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-pentan-3-yl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-pentan-3-yl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
PubChem CID23873060
Molecular FormulaC18H35N7O2
Molecular Weight381.53 g/mol
Exact Mass381.29
IUPAC Name4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-pentan-3-yl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
SMILESCCC(CC)Nc1nc(NCCOCCOCCN)nc(N2CCCC2)n1
InChIInChI=1S/C18H35N7O2/c1-3-15(4-2)21-17-22-16(20-8-12-27-14-13-26-11-7-19)23-18(24-17)25-9-5-6-10-25/h15H,3-14,19H2,1-2H3,(H2,20,21,22,23,24)
InChIKeyQQMYDUOQNDVLKB-UHFFFAOYSA-N
XLogP1.48
TPSA110.45 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds14
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.53
LogP ≤ 51.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-pentan-3-yl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-pentan-3-yl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine (CID 23873060) is 4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-pentan-3-yl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-pentan-3-yl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-pentan-3-yl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine is CCC(CC)Nc1nc(NCCOCCOCCN)nc(N2CCCC2)n1.
What is the InChIKey of 4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-pentan-3-yl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine?
The InChIKey is QQMYDUOQNDVLKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35N7O2/c1-3-15(4-2)21-17-22-16(20-8-12-27-14-13-26-11-7-19)23-18(24-17)25-9-5-6-10-25/h15H,3-14,19H2,1-2H3,(H2,20,21,22,23,24).
What are the key properties of 4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-pentan-3-yl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine?
4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-pentan-3-yl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine has a molecular weight of 381.53 g/mol, XLogP of 1.48, 14 rotatable bonds, 3 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]-2-N-pentan-3-yl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 23873060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).