3-(2-aminoethyl)-8-pentyl-1,3,8-triazaspiro[4.5]decane-2,4-dione

C14H26N4O2 — CID 82147866

IUPAC3-(2-aminoethyl)-8-pentyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCCCCCN1CCC2(CC1)NC(=O)N(CCN)C2=O
InChIInChI=1S/C14H26N4O2/c1-2-3-4-8-17-9-5-14(6-10-17)12(19)18(11-7-15)13(20)16-14/h2-11,15H2,1H3,(H,16,20)
InChIKeyOYBPFLUNPIYMJS-UHFFFAOYSA-N
MW282.39 g/mol
LogP0.52
Rot. Bonds6

About 3-(2-aminoethyl)-8-pentyl-1,3,8-triazaspiro[4.5]decane-2,4-dione

3-(2-aminoethyl)-8-pentyl-1,3,8-triazaspiro[4.5]decane-2,4-dione (PubChem CID 82147866) has the molecular formula C14H26N4O2 and a molecular weight of 282.39 g/mol. Its IUPAC name is 3-(2-aminoethyl)-8-pentyl-1,3,8-triazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name3-(2-aminoethyl)-8-pentyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
PubChem CID82147866
Molecular FormulaC14H26N4O2
Molecular Weight282.39 g/mol
Exact Mass282.21
IUPAC Name3-(2-aminoethyl)-8-pentyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCCCCCN1CCC2(CC1)NC(=O)N(CCN)C2=O
InChIInChI=1S/C14H26N4O2/c1-2-3-4-8-17-9-5-14(6-10-17)12(19)18(11-7-15)13(20)16-14/h2-11,15H2,1H3,(H,16,20)
InChIKeyOYBPFLUNPIYMJS-UHFFFAOYSA-N
XLogP0.52
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(8-hexyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl)acetic acid
CID 94752309
2-[3-(2-aminoethyl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl]-N-propylacetamide
CID 94751894
3-(2-aminoethyl)-1,3-diazaspiro[4.5]decane-2,4-dione
CID 18071047
3-butyl-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 13436719
3-(4-aminobutyl)-1,3-diazaspiro[4.4]nonane-2,4-dione;hydrochloride
CID 75481374
3-[8-(3-hydroxypropyl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]propanoic acid
CID 82148098
N-(2-aminoethyl)-3-(8-ethyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl)propanamide
CID 94755207
8-hexyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 82098568
8-nonyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 82098593
3-(3-aminopropyl)-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 25323207
5-[8-(3-hydroxypropyl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]pentanoic acid
CID 82149052
4-(3-methyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl)butanoic acid
CID 82148983

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoethyl)-8-pentyl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 3-(2-aminoethyl)-8-pentyl-1,3,8-triazaspiro[4.5]decane-2,4-dione (CID 82147866) is 3-(2-aminoethyl)-8-pentyl-1,3,8-triazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 3-(2-aminoethyl)-8-pentyl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 3-(2-aminoethyl)-8-pentyl-1,3,8-triazaspiro[4.5]decane-2,4-dione is CCCCCN1CCC2(CC1)NC(=O)N(CCN)C2=O.
What is the InChIKey of 3-(2-aminoethyl)-8-pentyl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The InChIKey is OYBPFLUNPIYMJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O2/c1-2-3-4-8-17-9-5-14(6-10-17)12(19)18(11-7-15)13(20)16-14/h2-11,15H2,1H3,(H,16,20).
What are the key properties of 3-(2-aminoethyl)-8-pentyl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
3-(2-aminoethyl)-8-pentyl-1,3,8-triazaspiro[4.5]decane-2,4-dione has a molecular weight of 282.39 g/mol, XLogP of 0.52, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoethyl)-8-pentyl-1,3,8-triazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 82147866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).