4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-6-butoxy-2-N-prop-2-enyl-1,3,5-triazine-2,4-diamine

C16H30N6O3 — CID 23984748

IUPAC4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-6-butoxy-2-N-prop-2-enyl-1,3,5-triazine-2,4-diamine
SMILESC=CCNc1nc(NCCOCCOCCN)nc(OCCCC)n1
InChIInChI=1S/C16H30N6O3/c1-3-5-9-25-16-21-14(18-7-4-2)20-15(22-16)19-8-11-24-13-12-23-10-6-17/h4H,2-3,5-13,17H2,1H3,(H2,18,19,20,21,22)
InChIKeyBTSBMGORFJCTGV-UHFFFAOYSA-N
MW354.46 g/mol
LogP1.05
Rot. Bonds16

About 4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-6-butoxy-2-N-prop-2-enyl-1,3,5-triazine-2,4-diamine

4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-6-butoxy-2-N-prop-2-enyl-1,3,5-triazine-2,4-diamine (PubChem CID 23984748) has the molecular formula C16H30N6O3 and a molecular weight of 354.46 g/mol. Its IUPAC name is 4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-6-butoxy-2-N-prop-2-enyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-6-butoxy-2-N-prop-2-enyl-1,3,5-triazine-2,4-diamine
PubChem CID23984748
Molecular FormulaC16H30N6O3
Molecular Weight354.46 g/mol
Exact Mass354.24
IUPAC Name4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-6-butoxy-2-N-prop-2-enyl-1,3,5-triazine-2,4-diamine
SMILESC=CCNc1nc(NCCOCCOCCN)nc(OCCCC)n1
InChIInChI=1S/C16H30N6O3/c1-3-5-9-25-16-21-14(18-7-4-2)20-15(22-16)19-8-11-24-13-12-23-10-6-17/h4H,2-3,5-13,17H2,1H3,(H2,18,19,20,21,22)
InChIKeyBTSBMGORFJCTGV-UHFFFAOYSA-N
XLogP1.05
TPSA116.44 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds16
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.46
LogP ≤ 51.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-6-butoxy-2-N-prop-2-enyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-6-butoxy-2-N-prop-2-enyl-1,3,5-triazine-2,4-diamine (CID 23984748) is 4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-6-butoxy-2-N-prop-2-enyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-6-butoxy-2-N-prop-2-enyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-6-butoxy-2-N-prop-2-enyl-1,3,5-triazine-2,4-diamine is C=CCNc1nc(NCCOCCOCCN)nc(OCCCC)n1.
What is the InChIKey of 4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-6-butoxy-2-N-prop-2-enyl-1,3,5-triazine-2,4-diamine?
The InChIKey is BTSBMGORFJCTGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N6O3/c1-3-5-9-25-16-21-14(18-7-4-2)20-15(22-16)19-8-11-24-13-12-23-10-6-17/h4H,2-3,5-13,17H2,1H3,(H2,18,19,20,21,22).
What are the key properties of 4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-6-butoxy-2-N-prop-2-enyl-1,3,5-triazine-2,4-diamine?
4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-6-butoxy-2-N-prop-2-enyl-1,3,5-triazine-2,4-diamine has a molecular weight of 354.46 g/mol, XLogP of 1.05, 16 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]-6-butoxy-2-N-prop-2-enyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 23984748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).