3-(2-aminoethyl)-1,3-diazaspiro[4.5]decane-2,4-dione

C10H17N3O2 — CID 18071047

IUPAC3-(2-aminoethyl)-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESNCCN1C(=O)NC2(CCCCC2)C1=O
InChIInChI=1S/C10H17N3O2/c11-6-7-13-8(14)10(12-9(13)15)4-2-1-3-5-10/h1-7,11H2,(H,12,15)
InChIKeyXJNAJWPJSDCMFQ-UHFFFAOYSA-N
MW211.26 g/mol
LogP0.20
Rot. Bonds2

About 3-(2-aminoethyl)-1,3-diazaspiro[4.5]decane-2,4-dione

3-(2-aminoethyl)-1,3-diazaspiro[4.5]decane-2,4-dione (PubChem CID 18071047) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is 3-(2-aminoethyl)-1,3-diazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name3-(2-aminoethyl)-1,3-diazaspiro[4.5]decane-2,4-dione
PubChem CID18071047
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Name3-(2-aminoethyl)-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESNCCN1C(=O)NC2(CCCCC2)C1=O
InChIInChI=1S/C10H17N3O2/c11-6-7-13-8(14)10(12-9(13)15)4-2-1-3-5-10/h1-7,11H2,(H,12,15)
InChIKeyXJNAJWPJSDCMFQ-UHFFFAOYSA-N
XLogP0.20
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(3-aminopropyl)-1,3-diazaspiro[4.5]decane-2,4-dione
CID 18071372
3-(3-aminopropyl)-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 25323207
3-(4-aminobutyl)-1,3-diazaspiro[4.4]nonane-2,4-dione;hydrochloride
CID 75481374
3-(2-hydroxyethyl)-1,3-diazaspiro[4.7]dodecane-2,4-dione
CID 43509728
3-(2-hydroxyethyl)-1,3-diazaspiro[4.6]undecane-2,4-dione
CID 12866
3-(3-hydroxypropyl)-1,3-diazaspiro[4.7]dodecane-2,4-dione
CID 43509729
3-butyl-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 13436719
3-(3-oxobutyl)-1,3-diazaspiro[4.5]decane-2,4-dione
CID 60666732
3-(2-azidoethyl)-1,3-diazaspiro[4.5]decane-2,4-dione
CID 61396486
N-(2-aminoethyl)-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanamide
CID 82149063
3-(2-aminoethyl)-8-pentyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 82147866
3-[2-(azetidin-3-yl)ethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 107391096

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoethyl)-1,3-diazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 3-(2-aminoethyl)-1,3-diazaspiro[4.5]decane-2,4-dione (CID 18071047) is 3-(2-aminoethyl)-1,3-diazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 3-(2-aminoethyl)-1,3-diazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 3-(2-aminoethyl)-1,3-diazaspiro[4.5]decane-2,4-dione is NCCN1C(=O)NC2(CCCCC2)C1=O.
What is the InChIKey of 3-(2-aminoethyl)-1,3-diazaspiro[4.5]decane-2,4-dione?
The InChIKey is XJNAJWPJSDCMFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c11-6-7-13-8(14)10(12-9(13)15)4-2-1-3-5-10/h1-7,11H2,(H,12,15).
What are the key properties of 3-(2-aminoethyl)-1,3-diazaspiro[4.5]decane-2,4-dione?
3-(2-aminoethyl)-1,3-diazaspiro[4.5]decane-2,4-dione has a molecular weight of 211.26 g/mol, XLogP of 0.20, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoethyl)-1,3-diazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 18071047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).