N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-piperidin-1-yl-6-prop-2-enoxy-1,3,5-triazin-2-amine

C17H30N6O3 — CID 23956929

IUPACN-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-piperidin-1-yl-6-prop-2-enoxy-1,3,5-triazin-2-amine
SMILESC=CCOc1nc(NCCOCCOCCN)nc(N2CCCCC2)n1
InChIInChI=1S/C17H30N6O3/c1-2-10-26-17-21-15(19-7-12-25-14-13-24-11-6-18)20-16(22-17)23-8-4-3-5-9-23/h2H,1,3-14,18H2,(H,19,20,21,22)
InChIKeySULHVMXJOMHOMQ-UHFFFAOYSA-N
MW366.47 g/mol
LogP0.83
Rot. Bonds13

About N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-piperidin-1-yl-6-prop-2-enoxy-1,3,5-triazin-2-amine

N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-piperidin-1-yl-6-prop-2-enoxy-1,3,5-triazin-2-amine (PubChem CID 23956929) has the molecular formula C17H30N6O3 and a molecular weight of 366.47 g/mol. Its IUPAC name is N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-piperidin-1-yl-6-prop-2-enoxy-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-piperidin-1-yl-6-prop-2-enoxy-1,3,5-triazin-2-amine
PubChem CID23956929
Molecular FormulaC17H30N6O3
Molecular Weight366.47 g/mol
Exact Mass366.24
IUPAC NameN-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-piperidin-1-yl-6-prop-2-enoxy-1,3,5-triazin-2-amine
SMILESC=CCOc1nc(NCCOCCOCCN)nc(N2CCCCC2)n1
InChIInChI=1S/C17H30N6O3/c1-2-10-26-17-21-15(19-7-12-25-14-13-24-11-6-18)20-16(22-17)23-8-4-3-5-9-23/h2H,1,3-14,18H2,(H,19,20,21,22)
InChIKeySULHVMXJOMHOMQ-UHFFFAOYSA-N
XLogP0.83
TPSA107.65 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds13
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 50.83
H-Bond Donors ≤ 52
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

2-Allyloxy-4-morpholin-4-yl-6-piperidin-1-yl-[1,3,5]triazine
CID 2059923
6-(4-prop-2-enoxypiperidin-1-yl)-2-N,4-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine
CID 56625605
2-[[4-(Butylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]amino]ethyl prop-2-enoate
CID 59235523
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
4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-cyclohexyl-2-N-methyl-6-prop-2-enoxy-1,3,5-triazine-2,4-diamine
CID 23758516
4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-(cyclohexylmethyl)-6-prop-2-enoxy-1,3,5-triazine-2,4-diamine
CID 23816527
4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-cyclopentyl-6-prop-2-enoxy-1,3,5-triazine-2,4-diamine
CID 23816528
N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-morpholin-4-yl-6-prop-2-enoxy-1,3,5-triazin-2-amine
CID 23845180
4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-6-morpholin-4-yl-2-N-prop-2-enyl-1,3,5-triazine-2,4-diamine
CID 23900905
4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-cyclooctyl-6-prop-2-enoxy-1,3,5-triazine-2,4-diamine
CID 23901105
N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-prop-2-enoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 23901108
4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2-N-cyclobutyl-6-prop-2-enoxy-1,3,5-triazine-2,4-diamine
CID 23929100

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-piperidin-1-yl-6-prop-2-enoxy-1,3,5-triazin-2-amine?
The IUPAC name of N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-piperidin-1-yl-6-prop-2-enoxy-1,3,5-triazin-2-amine (CID 23956929) is N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-piperidin-1-yl-6-prop-2-enoxy-1,3,5-triazin-2-amine.
What is the SMILES notation for N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-piperidin-1-yl-6-prop-2-enoxy-1,3,5-triazin-2-amine?
The canonical SMILES for N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-piperidin-1-yl-6-prop-2-enoxy-1,3,5-triazin-2-amine is C=CCOc1nc(NCCOCCOCCN)nc(N2CCCCC2)n1.
What is the InChIKey of N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-piperidin-1-yl-6-prop-2-enoxy-1,3,5-triazin-2-amine?
The InChIKey is SULHVMXJOMHOMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N6O3/c1-2-10-26-17-21-15(19-7-12-25-14-13-24-11-6-18)20-16(22-17)23-8-4-3-5-9-23/h2H,1,3-14,18H2,(H,19,20,21,22).
What are the key properties of N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-piperidin-1-yl-6-prop-2-enoxy-1,3,5-triazin-2-amine?
N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-4-piperidin-1-yl-6-prop-2-enoxy-1,3,5-triazin-2-amine has a molecular weight of 366.47 g/mol, XLogP of 0.83, 13 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-piperidin-1-yl-6-prop-2-enoxy-1,3,5-triazin-2-amine is sourced from PubChem (CID 23956929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).