3-(2-aminobutyl)-8-(2-methylprop-2-enyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione

C15H26N4O2 — CID 82148502

IUPAC3-(2-aminobutyl)-8-(2-methylprop-2-enyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESC=C(C)CN1CCC2(CC1)NC(=O)N(CC(N)CC)C2=O
InChIInChI=1S/C15H26N4O2/c1-4-12(16)10-19-13(20)15(17-14(19)21)5-7-18(8-6-15)9-11(2)3/h12H,2,4-10,16H2,1,3H3,(H,17,21)
InChIKeyUXBGXXFSDNIUJE-UHFFFAOYSA-N
MW294.40 g/mol
LogP0.69
Rot. Bonds5

About 3-(2-aminobutyl)-8-(2-methylprop-2-enyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione

3-(2-aminobutyl)-8-(2-methylprop-2-enyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione (PubChem CID 82148502) has the molecular formula C15H26N4O2 and a molecular weight of 294.40 g/mol. Its IUPAC name is 3-(2-aminobutyl)-8-(2-methylprop-2-enyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name3-(2-aminobutyl)-8-(2-methylprop-2-enyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
PubChem CID82148502
Molecular FormulaC15H26N4O2
Molecular Weight294.40 g/mol
Exact Mass294.21
IUPAC Name3-(2-aminobutyl)-8-(2-methylprop-2-enyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESC=C(C)CN1CCC2(CC1)NC(=O)N(CC(N)CC)C2=O
InChIInChI=1S/C15H26N4O2/c1-4-12(16)10-19-13(20)15(17-14(19)21)5-7-18(8-6-15)9-11(2)3/h12H,2,4-10,16H2,1,3H3,(H,17,21)
InChIKeyUXBGXXFSDNIUJE-UHFFFAOYSA-N
XLogP0.69
TPSA78.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(2-aminobutyl)-8-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 82148499
3-[2-(2-aminoethoxy)ethyl]-8-(2-methylprop-2-enyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 94753758
2-[8-(2-methylprop-2-enyl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]acetonitrile
CID 82148331
3-[(2R)-2-aminobutyl]-5,5-dimethylimidazolidine-2,4-dione
CID 94753955
2-[3-(2-aminoethyl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-8-yl]-N-propylacetamide
CID 94751894
3-(2-aminobutyl)-5-methyl-5-propan-2-ylimidazolidine-2,4-dione
CID 82148488
3-[8-(2-hydroxyethyl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]-2-methylpropanenitrile
CID 82148265
2-(8-hexyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl)acetic acid
CID 94752309
2-[8-(3-methylbutyl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]acetic acid
CID 82148052
methyl 2-bromo-3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propanoate
CID 81091939
3-(2-aminoethyl)-8-pentyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 82147866
N-(2-aminoethyl)-3-(8-ethyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl)propanamide
CID 94755207

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminobutyl)-8-(2-methylprop-2-enyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 3-(2-aminobutyl)-8-(2-methylprop-2-enyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione (CID 82148502) is 3-(2-aminobutyl)-8-(2-methylprop-2-enyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 3-(2-aminobutyl)-8-(2-methylprop-2-enyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 3-(2-aminobutyl)-8-(2-methylprop-2-enyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione is C=C(C)CN1CCC2(CC1)NC(=O)N(CC(N)CC)C2=O.
What is the InChIKey of 3-(2-aminobutyl)-8-(2-methylprop-2-enyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The InChIKey is UXBGXXFSDNIUJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O2/c1-4-12(16)10-19-13(20)15(17-14(19)21)5-7-18(8-6-15)9-11(2)3/h12H,2,4-10,16H2,1,3H3,(H,17,21).
What are the key properties of 3-(2-aminobutyl)-8-(2-methylprop-2-enyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
3-(2-aminobutyl)-8-(2-methylprop-2-enyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione has a molecular weight of 294.40 g/mol, XLogP of 0.69, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminobutyl)-8-(2-methylprop-2-enyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 82148502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).