2-(3-aminopropyl)-1,2,8-triazaspiro[4.5]decan-3-one

C10H20N4O — CID 105466236

IUPAC2-(3-aminopropyl)-1,2,8-triazaspiro[4.5]decan-3-one
SMILESNCCCN1NC2(CCNCC2)CC1=O
InChIInChI=1S/C10H20N4O/c11-4-1-7-14-9(15)8-10(13-14)2-5-12-6-3-10/h12-13H,1-8,11H2
InChIKeyYOHAICODRISXTC-UHFFFAOYSA-N
MW212.30 g/mol
LogP-0.81
Rot. Bonds3

About 2-(3-aminopropyl)-1,2,8-triazaspiro[4.5]decan-3-one

2-(3-aminopropyl)-1,2,8-triazaspiro[4.5]decan-3-one (PubChem CID 105466236) has the molecular formula C10H20N4O and a molecular weight of 212.30 g/mol. Its IUPAC name is 2-(3-aminopropyl)-1,2,8-triazaspiro[4.5]decan-3-one.

Molecular Properties

Compound Name2-(3-aminopropyl)-1,2,8-triazaspiro[4.5]decan-3-one
PubChem CID105466236
Molecular FormulaC10H20N4O
Molecular Weight212.30 g/mol
Exact Mass212.16
IUPAC Name2-(3-aminopropyl)-1,2,8-triazaspiro[4.5]decan-3-one
SMILESNCCCN1NC2(CCNCC2)CC1=O
InChIInChI=1S/C10H20N4O/c11-4-1-7-14-9(15)8-10(13-14)2-5-12-6-3-10/h12-13H,1-8,11H2
InChIKeyYOHAICODRISXTC-UHFFFAOYSA-N
XLogP-0.81
TPSA70.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.30
LogP ≤ 5-0.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-1,2,8-triazaspiro[4.5]decan-3-one
CID 89310977
2-(2-aminopropyl)-1,2-diazaspiro[4.5]decan-3-one
CID 105465244
2-(3-oxo-1,2-diazaspiro[4.5]decan-2-yl)acetaldehyde
CID 105450018
6-(piperidin-3-ylmethyl)-5,6-diazaspiro[3.4]octan-7-one
CID 105480988
2-(2-aminoethyl)-5-tert-butyl-5-methylpyrazolidin-3-one
CID 105452385
2-(3-hydroxypropyl)-1-oxa-2,8-diazaspiro[4.5]decan-3-one
CID 105467611
3-(3-aminopropyl)-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 25323207
8-(4-aminobutyl)-8-azaspiro[4.5]decane-7,9-dione
CID 11746691
3-ethyl-3,9-diazaspiro[5.5]undecane-2,4-dione
CID 20622599
1-(3-aminopropyl)azepane-2,7-dione
CID 43447536
3-(4-aminobutyl)-3-azaspiro[5.5]undecane-2,4-dione
CID 62642476
3-(3-aminopropyl)-1,3-diazaspiro[4.5]decane-2,4-dione
CID 18071372

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminopropyl)-1,2,8-triazaspiro[4.5]decan-3-one?
The IUPAC name of 2-(3-aminopropyl)-1,2,8-triazaspiro[4.5]decan-3-one (CID 105466236) is 2-(3-aminopropyl)-1,2,8-triazaspiro[4.5]decan-3-one.
What is the SMILES notation for 2-(3-aminopropyl)-1,2,8-triazaspiro[4.5]decan-3-one?
The canonical SMILES for 2-(3-aminopropyl)-1,2,8-triazaspiro[4.5]decan-3-one is NCCCN1NC2(CCNCC2)CC1=O.
What is the InChIKey of 2-(3-aminopropyl)-1,2,8-triazaspiro[4.5]decan-3-one?
The InChIKey is YOHAICODRISXTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4O/c11-4-1-7-14-9(15)8-10(13-14)2-5-12-6-3-10/h12-13H,1-8,11H2.
What are the key properties of 2-(3-aminopropyl)-1,2,8-triazaspiro[4.5]decan-3-one?
2-(3-aminopropyl)-1,2,8-triazaspiro[4.5]decan-3-one has a molecular weight of 212.30 g/mol, XLogP of -0.81, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminopropyl)-1,2,8-triazaspiro[4.5]decan-3-one is sourced from PubChem (CID 105466236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).