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

C16H31N7O2 — CID 23956875

IUPAC4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-6-N-butyl-2-N-prop-2-enyl-1,3,5-triazine-2,4,6-triamine
SMILESC=CCNc1nc(NCCCC)nc(NCCOCCOCCN)n1
InChIInChI=1S/C16H31N7O2/c1-3-5-8-19-15-21-14(18-7-4-2)22-16(23-15)20-9-11-25-13-12-24-10-6-17/h4H,2-3,5-13,17H2,1H3,(H3,18,19,20,21,22,23)
InChIKeyWEUGACGJXDJZRO-UHFFFAOYSA-N
MW353.47 g/mol
LogP1.09
Rot. Bonds16

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

4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-6-N-butyl-2-N-prop-2-enyl-1,3,5-triazine-2,4,6-triamine (PubChem CID 23956875) has the molecular formula C16H31N7O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is 4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-6-N-butyl-2-N-prop-2-enyl-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-6-N-butyl-2-N-prop-2-enyl-1,3,5-triazine-2,4,6-triamine
PubChem CID23956875
Molecular FormulaC16H31N7O2
Molecular Weight353.47 g/mol
Exact Mass353.25
IUPAC Name4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-6-N-butyl-2-N-prop-2-enyl-1,3,5-triazine-2,4,6-triamine
SMILESC=CCNc1nc(NCCCC)nc(NCCOCCOCCN)n1
InChIInChI=1S/C16H31N7O2/c1-3-5-8-19-15-21-14(18-7-4-2)22-16(23-15)20-9-11-25-13-12-24-10-6-17/h4H,2-3,5-13,17H2,1H3,(H3,18,19,20,21,22,23)
InChIKeyWEUGACGJXDJZRO-UHFFFAOYSA-N
XLogP1.09
TPSA119.24 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds16
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 51.09
H-Bond Donors ≤ 54
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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Related Compounds

N-allyl-N'-ethyl-6-(4-morpholinyl)-1,3,5-triazine-2,4-diamine
CID 2295099
4,6-diethoxy-N-prop-2-enyl-1,3,5-triazin-2-amine
CID 23310878
6-(3-ethoxyazetidin-1-yl)-2-N,4-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine
CID 56636786
4-N,4-N-dimethyl-6-morpholin-4-yl-2-N-prop-2-enyl-1,3,5-triazine-2,4-diamine
CID 4377033
6-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-(oxolan-2-ylmethyl)-4-N-prop-2-enyl-1,3,5-triazine-2,4,6-triamine
CID 23758491
2-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-N-(3-methylbutyl)-6-prop-2-enoxy-1,3,5-triazine-2,4-diamine
CID 23758515
2-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-N-butyl-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
CID 23758517
4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-6-N-butyl-2-N-pentan-3-yl-1,3,5-triazine-2,4,6-triamine
CID 23787611
4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-6-propan-2-yloxy-2-N-prop-2-enyl-1,3,5-triazine-2,4-diamine
CID 23787663
6-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-propan-2-yl-4-N-prop-2-enyl-1,3,5-triazine-2,4,6-triamine
CID 23816463
4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-cyclopentyl-6-prop-2-enoxy-1,3,5-triazine-2,4-diamine
CID 23816528
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

Frequently Asked Questions

What is the IUPAC name of 4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-6-N-butyl-2-N-prop-2-enyl-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-6-N-butyl-2-N-prop-2-enyl-1,3,5-triazine-2,4,6-triamine (CID 23956875) is 4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-6-N-butyl-2-N-prop-2-enyl-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-6-N-butyl-2-N-prop-2-enyl-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-6-N-butyl-2-N-prop-2-enyl-1,3,5-triazine-2,4,6-triamine is C=CCNc1nc(NCCCC)nc(NCCOCCOCCN)n1.
What is the InChIKey of 4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-6-N-butyl-2-N-prop-2-enyl-1,3,5-triazine-2,4,6-triamine?
The InChIKey is WEUGACGJXDJZRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N7O2/c1-3-5-8-19-15-21-14(18-7-4-2)22-16(23-15)20-9-11-25-13-12-24-10-6-17/h4H,2-3,5-13,17H2,1H3,(H3,18,19,20,21,22,23).
What are the key properties of 4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-6-N-butyl-2-N-prop-2-enyl-1,3,5-triazine-2,4,6-triamine?
4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-6-N-butyl-2-N-prop-2-enyl-1,3,5-triazine-2,4,6-triamine has a molecular weight of 353.47 g/mol, XLogP of 1.09, 16 rotatable bonds, 4 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-N-butyl-2-N-prop-2-enyl-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 23956875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).