8-[(2R)-butan-2-yl]-1-methyl-3-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione

C16H29N3O2 — CID 26145179

IUPAC8-[(2R)-butan-2-yl]-1-methyl-3-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCC[C@@H](C)N1CCC2(CC1)C(=O)N(CC(C)C)C(=O)N2C
InChIInChI=1S/C16H29N3O2/c1-6-13(4)18-9-7-16(8-10-18)14(20)19(11-12(2)3)15(21)17(16)5/h12-13H,6-11H2,1-5H3/t13-/m1/s1
InChIKeyCTTDYGXCQIAJLX-CYBMUJFWSA-N
MW295.43 g/mol
LogP2.17
Rot. Bonds4

About 8-[(2R)-butan-2-yl]-1-methyl-3-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione

8-[(2R)-butan-2-yl]-1-methyl-3-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione (PubChem CID 26145179) has the molecular formula C16H29N3O2 and a molecular weight of 295.43 g/mol. Its IUPAC name is 8-[(2R)-butan-2-yl]-1-methyl-3-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name8-[(2R)-butan-2-yl]-1-methyl-3-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
PubChem CID26145179
Molecular FormulaC16H29N3O2
Molecular Weight295.43 g/mol
Exact Mass295.23
IUPAC Name8-[(2R)-butan-2-yl]-1-methyl-3-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESCC[C@@H](C)N1CCC2(CC1)C(=O)N(CC(C)C)C(=O)N2C
InChIInChI=1S/C16H29N3O2/c1-6-13(4)18-9-7-16(8-10-18)14(20)19(11-12(2)3)15(21)17(16)5/h12-13H,6-11H2,1-5H3/t13-/m1/s1
InChIKeyCTTDYGXCQIAJLX-CYBMUJFWSA-N
XLogP2.17
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

8-butan-2-yl-1-methyl-3-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 45164484
3-benzyl-8-[(2S)-butan-2-yl]-1-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26224764
3-benzyl-8-[(2R)-1-hydroxypropan-2-yl]-1-methyl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26141030
8-[(2S)-butan-2-yl]-1-(2-methylpropyl)-3-(pyridin-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26222211
1,3-dimethyl-8-propan-2-yl-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 166054973
8-[(2R)-1-hydroxypropan-2-yl]-1-methyl-3-(naphthalen-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26214040
1-methyl-8-(2-methylpropyl)-3-(naphthalen-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26229873
8-(2,2-dimethylpropyl)-1-(3-methylbutyl)-3-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26214207
3-[2-(dimethylamino)ethyl]-1-ethyl-8-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26233119
1-methyl-8-propan-2-yl-3-(pyridin-3-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26233644
methyl 2-[8-butan-2-yl-2,4-dioxo-1-(2-phenylethyl)-1,3,8-triazaspiro[4.5]decan-3-yl]acetate
CID 45163960
8-[(2R)-butan-2-yl]-1-ethyl-3-[(3-methoxyphenyl)methyl]-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26231274

Frequently Asked Questions

What is the IUPAC name of 8-[(2R)-butan-2-yl]-1-methyl-3-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 8-[(2R)-butan-2-yl]-1-methyl-3-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione (CID 26145179) is 8-[(2R)-butan-2-yl]-1-methyl-3-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 8-[(2R)-butan-2-yl]-1-methyl-3-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 8-[(2R)-butan-2-yl]-1-methyl-3-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione is CC[C@@H](C)N1CCC2(CC1)C(=O)N(CC(C)C)C(=O)N2C.
What is the InChIKey of 8-[(2R)-butan-2-yl]-1-methyl-3-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The InChIKey is CTTDYGXCQIAJLX-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H29N3O2/c1-6-13(4)18-9-7-16(8-10-18)14(20)19(11-12(2)3)15(21)17(16)5/h12-13H,6-11H2,1-5H3/t13-/m1/s1.
What are the key properties of 8-[(2R)-butan-2-yl]-1-methyl-3-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
8-[(2R)-butan-2-yl]-1-methyl-3-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione has a molecular weight of 295.43 g/mol, XLogP of 2.17, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(2R)-butan-2-yl]-1-methyl-3-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 26145179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).