3-[[[(1S)-2,3-dihydro-1H-inden-1-yl]-methylamino]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione

C19H25N3O2 — CID 30597510

IUPAC3-[[[(1S)-2,3-dihydro-1H-inden-1-yl]-methylamino]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESCN(CN1C(=O)NC2(CCCCC2)C1=O)[C@H]1CCc2ccccc21
InChIInChI=1S/C19H25N3O2/c1-21(16-10-9-14-7-3-4-8-15(14)16)13-22-17(23)19(20-18(22)24)11-5-2-6-12-19/h3-4,7-8,16H,2,5-6,9-13H2,1H3,(H,20,24)/t16-/m0/s1
InChIKeyXRMJRGPJYFLGJN-INIZCTEOSA-N
MW327.43 g/mol
LogP2.82
Rot. Bonds3

About 3-[[[(1S)-2,3-dihydro-1H-inden-1-yl]-methylamino]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione

3-[[[(1S)-2,3-dihydro-1H-inden-1-yl]-methylamino]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione (PubChem CID 30597510) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is 3-[[[(1S)-2,3-dihydro-1H-inden-1-yl]-methylamino]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name3-[[[(1S)-2,3-dihydro-1H-inden-1-yl]-methylamino]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
PubChem CID30597510
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Name3-[[[(1S)-2,3-dihydro-1H-inden-1-yl]-methylamino]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESCN(CN1C(=O)NC2(CCCCC2)C1=O)[C@H]1CCc2ccccc21
InChIInChI=1S/C19H25N3O2/c1-21(16-10-9-14-7-3-4-8-15(14)16)13-22-17(23)19(20-18(22)24)11-5-2-6-12-19/h3-4,7-8,16H,2,5-6,9-13H2,1H3,(H,20,24)/t16-/m0/s1
InChIKeyXRMJRGPJYFLGJN-INIZCTEOSA-N
XLogP2.82
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-[[[(1S)-2,3-dihydro-1H-inden-1-yl]-methylamino]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 3-[[[(1S)-2,3-dihydro-1H-inden-1-yl]-methylamino]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione (CID 30597510) is 3-[[[(1S)-2,3-dihydro-1H-inden-1-yl]-methylamino]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 3-[[[(1S)-2,3-dihydro-1H-inden-1-yl]-methylamino]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 3-[[[(1S)-2,3-dihydro-1H-inden-1-yl]-methylamino]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione is CN(CN1C(=O)NC2(CCCCC2)C1=O)[C@H]1CCc2ccccc21.
What is the InChIKey of 3-[[[(1S)-2,3-dihydro-1H-inden-1-yl]-methylamino]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione?
The InChIKey is XRMJRGPJYFLGJN-INIZCTEOSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-21(16-10-9-14-7-3-4-8-15(14)16)13-22-17(23)19(20-18(22)24)11-5-2-6-12-19/h3-4,7-8,16H,2,5-6,9-13H2,1H3,(H,20,24)/t16-/m0/s1.
What are the key properties of 3-[[[(1S)-2,3-dihydro-1H-inden-1-yl]-methylamino]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione?
3-[[[(1S)-2,3-dihydro-1H-inden-1-yl]-methylamino]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione has a molecular weight of 327.43 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[(1S)-2,3-dihydro-1H-inden-1-yl]-methylamino]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 30597510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).