3-methyl-8-[4-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1H-pyrazol-5-yl]-1,3-diazaspiro[4.5]decane-2,4-dione

C17H28N6O2 — CID 118688358

IUPAC3-methyl-8-[4-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1H-pyrazol-5-yl]-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESCNCCN(C)Cc1cn[nH]c1C1CCC2(CC1)NC(=O)N(C)C2=O
InChIInChI=1S/C17H28N6O2/c1-18-8-9-22(2)11-13-10-19-21-14(13)12-4-6-17(7-5-12)15(24)23(3)16(25)20-17/h10,12,18H,4-9,11H2,1-3H3,(H,19,21)(H,20,25)
InChIKeyHOHOMMWHOBPCPI-UHFFFAOYSA-N
MW348.45 g/mol
LogP0.64
Rot. Bonds6

About 3-methyl-8-[4-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1H-pyrazol-5-yl]-1,3-diazaspiro[4.5]decane-2,4-dione

3-methyl-8-[4-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1H-pyrazol-5-yl]-1,3-diazaspiro[4.5]decane-2,4-dione (PubChem CID 118688358) has the molecular formula C17H28N6O2 and a molecular weight of 348.45 g/mol. Its IUPAC name is 3-methyl-8-[4-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1H-pyrazol-5-yl]-1,3-diazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name3-methyl-8-[4-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1H-pyrazol-5-yl]-1,3-diazaspiro[4.5]decane-2,4-dione
PubChem CID118688358
Molecular FormulaC17H28N6O2
Molecular Weight348.45 g/mol
Exact Mass348.23
IUPAC Name3-methyl-8-[4-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1H-pyrazol-5-yl]-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESCNCCN(C)Cc1cn[nH]c1C1CCC2(CC1)NC(=O)N(C)C2=O
InChIInChI=1S/C17H28N6O2/c1-18-8-9-22(2)11-13-10-19-21-14(13)12-4-6-17(7-5-12)15(24)23(3)16(25)20-17/h10,12,18H,4-9,11H2,1-3H3,(H,19,21)(H,20,25)
InChIKeyHOHOMMWHOBPCPI-UHFFFAOYSA-N
XLogP0.64
TPSA93.36 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 50.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-8-[4-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1H-pyrazol-5-yl]-1,3-diazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 3-methyl-8-[4-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1H-pyrazol-5-yl]-1,3-diazaspiro[4.5]decane-2,4-dione (CID 118688358) is 3-methyl-8-[4-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1H-pyrazol-5-yl]-1,3-diazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 3-methyl-8-[4-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1H-pyrazol-5-yl]-1,3-diazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 3-methyl-8-[4-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1H-pyrazol-5-yl]-1,3-diazaspiro[4.5]decane-2,4-dione is CNCCN(C)Cc1cn[nH]c1C1CCC2(CC1)NC(=O)N(C)C2=O.
What is the InChIKey of 3-methyl-8-[4-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1H-pyrazol-5-yl]-1,3-diazaspiro[4.5]decane-2,4-dione?
The InChIKey is HOHOMMWHOBPCPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N6O2/c1-18-8-9-22(2)11-13-10-19-21-14(13)12-4-6-17(7-5-12)15(24)23(3)16(25)20-17/h10,12,18H,4-9,11H2,1-3H3,(H,19,21)(H,20,25).
What are the key properties of 3-methyl-8-[4-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1H-pyrazol-5-yl]-1,3-diazaspiro[4.5]decane-2,4-dione?
3-methyl-8-[4-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1H-pyrazol-5-yl]-1,3-diazaspiro[4.5]decane-2,4-dione has a molecular weight of 348.45 g/mol, XLogP of 0.64, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-8-[4-[[methyl-[2-(methylamino)ethyl]amino]methyl]-1H-pyrazol-5-yl]-1,3-diazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 118688358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).