6-(aminomethyl)-3-(2-hydroxyethyl)-1,3-diazaspiro[4.5]decane-2,4-dione

C11H19N3O3 — CID 80554713

IUPAC6-(aminomethyl)-3-(2-hydroxyethyl)-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESNCC1CCCCC12NC(=O)N(CCO)C2=O
InChIInChI=1S/C11H19N3O3/c12-7-8-3-1-2-4-11(8)9(16)14(5-6-15)10(17)13-11/h8,15H,1-7,12H2,(H,13,17)
InChIKeyCIWNUCMCYIPGEN-UHFFFAOYSA-N
MW241.29 g/mol
LogP-0.58
Rot. Bonds3

About 6-(aminomethyl)-3-(2-hydroxyethyl)-1,3-diazaspiro[4.5]decane-2,4-dione

6-(aminomethyl)-3-(2-hydroxyethyl)-1,3-diazaspiro[4.5]decane-2,4-dione (PubChem CID 80554713) has the molecular formula C11H19N3O3 and a molecular weight of 241.29 g/mol. Its IUPAC name is 6-(aminomethyl)-3-(2-hydroxyethyl)-1,3-diazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name6-(aminomethyl)-3-(2-hydroxyethyl)-1,3-diazaspiro[4.5]decane-2,4-dione
PubChem CID80554713
Molecular FormulaC11H19N3O3
Molecular Weight241.29 g/mol
Exact Mass241.14
IUPAC Name6-(aminomethyl)-3-(2-hydroxyethyl)-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESNCC1CCCCC12NC(=O)N(CCO)C2=O
InChIInChI=1S/C11H19N3O3/c12-7-8-3-1-2-4-11(8)9(16)14(5-6-15)10(17)13-11/h8,15H,1-7,12H2,(H,13,17)
InChIKeyCIWNUCMCYIPGEN-UHFFFAOYSA-N
XLogP-0.58
TPSA95.66 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 5-0.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-(aminomethyl)-3-(2-methylpentyl)-1,3-diazaspiro[4.5]decane-2,4-dione
CID 80554715
6-(aminomethyl)-3-(pyridin-4-ylmethyl)-1,3-diazaspiro[4.5]decane-2,4-dione
CID 80549237
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
6-methyl-3-propyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 17429707
(5R,6R)-6-methyl-3-(3-oxobutyl)-1,3-diazaspiro[4.5]decane-2,4-dione
CID 7565636
6-methyl-3-(2-propan-2-yloxyethyl)-1,3-diazaspiro[4.5]decane-2,4-dione
CID 24674265
(5R,9R)-9-(aminomethyl)-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 95566914
2-[(5R,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetic acid
CID 2106917
3-[2-[4-(aminomethyl)piperidin-1-yl]-2-oxoethyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 119423708
N,N-dimethyl-2-[(5R,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 9208151
3-[2-(4-chlorophenoxy)ethyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 42898078

Frequently Asked Questions

What is the IUPAC name of 6-(aminomethyl)-3-(2-hydroxyethyl)-1,3-diazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 6-(aminomethyl)-3-(2-hydroxyethyl)-1,3-diazaspiro[4.5]decane-2,4-dione (CID 80554713) is 6-(aminomethyl)-3-(2-hydroxyethyl)-1,3-diazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 6-(aminomethyl)-3-(2-hydroxyethyl)-1,3-diazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 6-(aminomethyl)-3-(2-hydroxyethyl)-1,3-diazaspiro[4.5]decane-2,4-dione is NCC1CCCCC12NC(=O)N(CCO)C2=O.
What is the InChIKey of 6-(aminomethyl)-3-(2-hydroxyethyl)-1,3-diazaspiro[4.5]decane-2,4-dione?
The InChIKey is CIWNUCMCYIPGEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O3/c12-7-8-3-1-2-4-11(8)9(16)14(5-6-15)10(17)13-11/h8,15H,1-7,12H2,(H,13,17).
What are the key properties of 6-(aminomethyl)-3-(2-hydroxyethyl)-1,3-diazaspiro[4.5]decane-2,4-dione?
6-(aminomethyl)-3-(2-hydroxyethyl)-1,3-diazaspiro[4.5]decane-2,4-dione has a molecular weight of 241.29 g/mol, XLogP of -0.58, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(aminomethyl)-3-(2-hydroxyethyl)-1,3-diazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 80554713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).