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

C15H27N3O2 — CID 80554715

IUPAC6-(aminomethyl)-3-(2-methylpentyl)-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESCCCC(C)CN1C(=O)NC2(CCCCC2CN)C1=O
InChIInChI=1S/C15H27N3O2/c1-3-6-11(2)10-18-13(19)15(17-14(18)20)8-5-4-7-12(15)9-16/h11-12H,3-10,16H2,1-2H3,(H,17,20)
InChIKeyKPBYVPXMCQBPBA-UHFFFAOYSA-N
MW281.40 g/mol
LogP1.86
Rot. Bonds5

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

6-(aminomethyl)-3-(2-methylpentyl)-1,3-diazaspiro[4.5]decane-2,4-dione (PubChem CID 80554715) has the molecular formula C15H27N3O2 and a molecular weight of 281.40 g/mol. Its IUPAC name is 6-(aminomethyl)-3-(2-methylpentyl)-1,3-diazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name6-(aminomethyl)-3-(2-methylpentyl)-1,3-diazaspiro[4.5]decane-2,4-dione
PubChem CID80554715
Molecular FormulaC15H27N3O2
Molecular Weight281.40 g/mol
Exact Mass281.21
IUPAC Name6-(aminomethyl)-3-(2-methylpentyl)-1,3-diazaspiro[4.5]decane-2,4-dione
SMILESCCCC(C)CN1C(=O)NC2(CCCCC2CN)C1=O
InChIInChI=1S/C15H27N3O2/c1-3-6-11(2)10-18-13(19)15(17-14(18)20)8-5-4-7-12(15)9-16/h11-12H,3-10,16H2,1-2H3,(H,17,20)
InChIKeyKPBYVPXMCQBPBA-UHFFFAOYSA-N
XLogP1.86
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 51.86
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

6-(aminomethyl)-3-(2-hydroxyethyl)-1,3-diazaspiro[4.5]decane-2,4-dione
CID 80554713
6-(aminomethyl)-3-(pyridin-4-ylmethyl)-1,3-diazaspiro[4.5]decane-2,4-dione
CID 80549237
6-methyl-3-propyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 17429707
6-methyl-3-(2-propan-2-yloxyethyl)-1,3-diazaspiro[4.5]decane-2,4-dione
CID 24674265
N-[(2R)-heptan-2-yl]-2-[(5R,6S)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide
CID 11929918
N-(3-methylbutyl)-2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)acetamide
CID 16545028
3-[2-[4-(aminomethyl)piperidin-1-yl]-2-oxoethyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 119423708
3-(3-bromo-2-methylpropyl)-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 64995551
3-[2-hydroxy-3-(4-methylpiperidin-1-yl)propyl]-6-methyl-1,3-diazaspiro[4.5]decane-2,4-dione
CID 47556184
2-(6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-N,N-di(propan-2-yl)acetamide
CID 17390675
2-[(5S,6R)-6-methyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]-N-propan-2-ylacetamide
CID 7265087
(5R,9R)-9-(aminomethyl)-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 95566914

Frequently Asked Questions

What is the IUPAC name of 6-(aminomethyl)-3-(2-methylpentyl)-1,3-diazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 6-(aminomethyl)-3-(2-methylpentyl)-1,3-diazaspiro[4.5]decane-2,4-dione (CID 80554715) is 6-(aminomethyl)-3-(2-methylpentyl)-1,3-diazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 6-(aminomethyl)-3-(2-methylpentyl)-1,3-diazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 6-(aminomethyl)-3-(2-methylpentyl)-1,3-diazaspiro[4.5]decane-2,4-dione is CCCC(C)CN1C(=O)NC2(CCCCC2CN)C1=O.
What is the InChIKey of 6-(aminomethyl)-3-(2-methylpentyl)-1,3-diazaspiro[4.5]decane-2,4-dione?
The InChIKey is KPBYVPXMCQBPBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2/c1-3-6-11(2)10-18-13(19)15(17-14(18)20)8-5-4-7-12(15)9-16/h11-12H,3-10,16H2,1-2H3,(H,17,20).
What are the key properties of 6-(aminomethyl)-3-(2-methylpentyl)-1,3-diazaspiro[4.5]decane-2,4-dione?
6-(aminomethyl)-3-(2-methylpentyl)-1,3-diazaspiro[4.5]decane-2,4-dione has a molecular weight of 281.40 g/mol, XLogP of 1.86, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(aminomethyl)-3-(2-methylpentyl)-1,3-diazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 80554715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).