3-[[di(propan-2-yl)amino]methyl]-8-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione

C15H28N4O2 — CID 13424778

IUPAC3-[[di(propan-2-yl)amino]methyl]-8-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCC(C)N(CN1C(=O)NC2(CCN(C)CC2)C1=O)C(C)C
InChIInChI=1S/C15H28N4O2/c1-11(2)18(12(3)4)10-19-13(20)15(16-14(19)21)6-8-17(5)9-7-15/h11-12H,6-10H2,1-5H3,(H,16,21)
InChIKeyAMEGHNORBVGWMP-UHFFFAOYSA-N
MW296.42 g/mol
LogP1.08
Rot. Bonds4

About 3-[[di(propan-2-yl)amino]methyl]-8-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione

3-[[di(propan-2-yl)amino]methyl]-8-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione (PubChem CID 13424778) has the molecular formula C15H28N4O2 and a molecular weight of 296.42 g/mol. Its IUPAC name is 3-[[di(propan-2-yl)amino]methyl]-8-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name3-[[di(propan-2-yl)amino]methyl]-8-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
PubChem CID13424778
Molecular FormulaC15H28N4O2
Molecular Weight296.42 g/mol
Exact Mass296.22
IUPAC Name3-[[di(propan-2-yl)amino]methyl]-8-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCC(C)N(CN1C(=O)NC2(CCN(C)CC2)C1=O)C(C)C
InChIInChI=1S/C15H28N4O2/c1-11(2)18(12(3)4)10-19-13(20)15(16-14(19)21)6-8-17(5)9-7-15/h11-12H,6-10H2,1-5H3,(H,16,21)
InChIKeyAMEGHNORBVGWMP-UHFFFAOYSA-N
XLogP1.08
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.42
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(2-hydroxyethyl)-8-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 82148756
3-(2-aminobutyl)-8-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 82148499
3-(8-methyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl)propanenitrile
CID 82148650
8-methyl-3-(piperidin-1-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 9242043
2-[8-(3-methylbutyl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]acetic acid
CID 82148052
3-[2-(4-aminophenoxy)ethyl]-8-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 94755507
3-[8-(3-methylbutyl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]propanenitrile
CID 82148651
3-tert-butyl-8-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 22097463
3-(3-bromo-2-methylpropyl)-1,3-diazaspiro[4.4]nonane-2,4-dione
CID 64995551
4-[8-(3-methylbutyl)-2,4-dioxo-1,3,8-triazaspiro[4.5]decan-3-yl]butanoic acid
CID 82148990
3-(3-methylbutyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 62849667
3-(3-bromo-2-methylpropyl)-1,3-diazaspiro[4.7]dodecane-2,4-dione
CID 64995612

Frequently Asked Questions

What is the IUPAC name of 3-[[di(propan-2-yl)amino]methyl]-8-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 3-[[di(propan-2-yl)amino]methyl]-8-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione (CID 13424778) is 3-[[di(propan-2-yl)amino]methyl]-8-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 3-[[di(propan-2-yl)amino]methyl]-8-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 3-[[di(propan-2-yl)amino]methyl]-8-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione is CC(C)N(CN1C(=O)NC2(CCN(C)CC2)C1=O)C(C)C.
What is the InChIKey of 3-[[di(propan-2-yl)amino]methyl]-8-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The InChIKey is AMEGHNORBVGWMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4O2/c1-11(2)18(12(3)4)10-19-13(20)15(16-14(19)21)6-8-17(5)9-7-15/h11-12H,6-10H2,1-5H3,(H,16,21).
What are the key properties of 3-[[di(propan-2-yl)amino]methyl]-8-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione?
3-[[di(propan-2-yl)amino]methyl]-8-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione has a molecular weight of 296.42 g/mol, XLogP of 1.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[di(propan-2-yl)amino]methyl]-8-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 13424778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).