3-[2-(2-aminoethoxy)ethyl]-8-(2-methylprop-2-enyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione

C15H26N4O3 — CID 94753758

IUPAC3-[2-(2-aminoethoxy)ethyl]-8-(2-methylprop-2-enyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESC=C(C)CN1CCC2(CC1)NC(=O)N(CCOCCN)C2=O
InChIInChI=1S/C15H26N4O3/c1-12(2)11-18-6-3-15(4-7-18)13(20)19(14(21)17-15)8-10-22-9-5-16/h1,3-11,16H2,2H3,(H,17,21)
InChIKeyWRXMLXZUICWOLN-UHFFFAOYSA-N
MW310.40 g/mol
LogP-0.08
Rot. Bonds7

About 3-[2-(2-aminoethoxy)ethyl]-8-(2-methylprop-2-enyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione

3-[2-(2-aminoethoxy)ethyl]-8-(2-methylprop-2-enyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione (PubChem CID 94753758) has the molecular formula C15H26N4O3 and a molecular weight of 310.40 g/mol. Its IUPAC name is 3-[2-(2-aminoethoxy)ethyl]-8-(2-methylprop-2-enyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name3-[2-(2-aminoethoxy)ethyl]-8-(2-methylprop-2-enyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
PubChem CID94753758
Molecular FormulaC15H26N4O3
Molecular Weight310.40 g/mol
Exact Mass310.20
IUPAC Name3-[2-(2-aminoethoxy)ethyl]-8-(2-methylprop-2-enyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESC=C(C)CN1CCC2(CC1)NC(=O)N(CCOCCN)C2=O
InChIInChI=1S/C15H26N4O3/c1-12(2)11-18-6-3-15(4-7-18)13(20)19(14(21)17-15)8-10-22-9-5-16/h1,3-11,16H2,2H3,(H,17,21)
InChIKeyWRXMLXZUICWOLN-UHFFFAOYSA-N
XLogP-0.08
TPSA87.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 5-0.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-aminoethoxy)ethyl]-8-(2-methylprop-2-enyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 3-[2-(2-aminoethoxy)ethyl]-8-(2-methylprop-2-enyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione (CID 94753758) is 3-[2-(2-aminoethoxy)ethyl]-8-(2-methylprop-2-enyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 3-[2-(2-aminoethoxy)ethyl]-8-(2-methylprop-2-enyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 3-[2-(2-aminoethoxy)ethyl]-8-(2-methylprop-2-enyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione is C=C(C)CN1CCC2(CC1)NC(=O)N(CCOCCN)C2=O.
What is the InChIKey of 3-[2-(2-aminoethoxy)ethyl]-8-(2-methylprop-2-enyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The InChIKey is WRXMLXZUICWOLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O3/c1-12(2)11-18-6-3-15(4-7-18)13(20)19(14(21)17-15)8-10-22-9-5-16/h1,3-11,16H2,2H3,(H,17,21).
What are the key properties of 3-[2-(2-aminoethoxy)ethyl]-8-(2-methylprop-2-enyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
3-[2-(2-aminoethoxy)ethyl]-8-(2-methylprop-2-enyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione has a molecular weight of 310.40 g/mol, XLogP of -0.08, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-aminoethoxy)ethyl]-8-(2-methylprop-2-enyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 94753758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).